EcoDrugPlus


Synonyms	Lb-102 N'-methyl amisulpride N'-methylamisulpride
Status
Molecule Category	Free-form
UNII	N81WKW91XF


InChI Key	NXKXZXNNWRYXRE-UHFFFAOYSA-N
Smiles	CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(NC)cc1OC
InChI	InChI=1S/C18H29N3O4S/c1-5-21-9-7-8-13(21)12-20-18(22)14-10-17(26(23,24)6-2)15(19-3)11-16(14)25-4/h10-11,13,19H,5-9,12H2,1-4H3,(H,20,22)

Property Name	Value
Molecular Formula	C18H29N3O4S
Molecular Weight	383.51
AlogP	1.74
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	8.0
Polar Surface Area	87.74
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	26.0

Resources	Reference
ChEMBL	CHEMBL4594422
FDA SRS	N81WKW91XF
PubChem	134542980
SureChEMBL	SCHEMBL20189909

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

LB-102

Structure

Physicochemical Descriptors

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