1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]piperidine-3-carboxamide

C23H29N3O5S2 — CID 55406630

IUPAC1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]piperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)N(C)CC(=O)Nc3ccccc3SC)C2)cc1
InChIInChI=1S/C23H29N3O5S2/c1-25(16-22(27)24-20-8-4-5-9-21(20)32-3)23(28)17-7-6-14-26(15-17)33(29,30)19-12-10-18(31-2)11-13-19/h4-5,8-13,17H,6-7,14-16H2,1-3H3,(H,24,27)
InChIKeyBCCOZAMABKPESD-UHFFFAOYSA-N
MW491.64 g/mol
LogP2.91
Rot. Bonds8

About 1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]piperidine-3-carboxamide

1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 55406630) has the molecular formula C23H29N3O5S2 and a molecular weight of 491.64 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]piperidine-3-carboxamide
PubChem CID55406630
Molecular FormulaC23H29N3O5S2
Molecular Weight491.64 g/mol
Exact Mass491.15
IUPAC Name1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]piperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)N(C)CC(=O)Nc3ccccc3SC)C2)cc1
InChIInChI=1S/C23H29N3O5S2/c1-25(16-22(27)24-20-8-4-5-9-21(20)32-3)23(28)17-7-6-14-26(15-17)33(29,30)19-12-10-18(31-2)11-13-19/h4-5,8-13,17H,6-7,14-16H2,1-3H3,(H,24,27)
InChIKeyBCCOZAMABKPESD-UHFFFAOYSA-N
XLogP2.91
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.64
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 55330546
1-(3,4-difluorophenyl)sulfonyl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 55330819
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 100800248
[2-(2-chloroanilino)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 55427836
N,N-diethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3863405
(3S)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 41188413
N-(2-methylsulfanylphenyl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 2236404
1-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 24641369
(3S)-1-(4-ethoxyphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 125050637
N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 55429285
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 28954361

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]piperidine-3-carboxamide (CID 55406630) is 1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]piperidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCCC(C(=O)N(C)CC(=O)Nc3ccccc3SC)C2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is BCCOZAMABKPESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S2/c1-25(16-22(27)24-20-8-4-5-9-21(20)32-3)23(28)17-7-6-14-26(15-17)33(29,30)19-12-10-18(31-2)11-13-19/h4-5,8-13,17H,6-7,14-16H2,1-3H3,(H,24,27).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]piperidine-3-carboxamide?
1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 491.64 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 55406630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).