3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide

C23H31N3O3S2 — CID 112765094

IUPAC3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
SMILESCC1CCCCN1S(=O)(=O)c1cccc(C(=O)NCC(c2cccs2)N2CCCC2)c1
InChIInChI=1S/C23H31N3O3S2/c1-18-8-2-3-14-26(18)31(28,29)20-10-6-9-19(16-20)23(27)24-17-21(22-11-7-15-30-22)25-12-4-5-13-25/h6-7,9-11,15-16,18,21H,2-5,8,12-14,17H2,1H3,(H,24,27)
InChIKeyJAIDHMFNUTWDNN-UHFFFAOYSA-N
MW461.65 g/mol
LogP3.88
Rot. Bonds7

About 3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide

3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide (PubChem CID 112765094) has the molecular formula C23H31N3O3S2 and a molecular weight of 461.65 g/mol. Its IUPAC name is 3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
PubChem CID112765094
Molecular FormulaC23H31N3O3S2
Molecular Weight461.65 g/mol
Exact Mass461.18
IUPAC Name3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
SMILESCC1CCCCN1S(=O)(=O)c1cccc(C(=O)NCC(c2cccs2)N2CCCC2)c1
InChIInChI=1S/C23H31N3O3S2/c1-18-8-2-3-14-26(18)31(28,29)20-10-6-9-19(16-20)23(27)24-17-21(22-11-7-15-30-22)25-12-4-5-13-25/h6-7,9-11,15-16,18,21H,2-5,8,12-14,17H2,1H3,(H,24,27)
InChIKeyJAIDHMFNUTWDNN-UHFFFAOYSA-N
XLogP3.88
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.65
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide 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

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55331672
N-(2-amino-2-methylpropyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119629639
3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17012410
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 112765111
3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 9442263
3-methyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17011590
3-[(2-fluorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 24640460
3-chloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34951917
N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9165564
N-[2-(4-chlorophenyl)ethyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9217485
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 11932722
3-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
CID 52984511

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide (CID 112765094) is 3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide is CC1CCCCN1S(=O)(=O)c1cccc(C(=O)NCC(c2cccs2)N2CCCC2)c1.
What is the InChIKey of 3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide?
The InChIKey is JAIDHMFNUTWDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S2/c1-18-8-2-3-14-26(18)31(28,29)20-10-6-9-19(16-20)23(27)24-17-21(22-11-7-15-30-22)25-12-4-5-13-25/h6-7,9-11,15-16,18,21H,2-5,8,12-14,17H2,1H3,(H,24,27).
What are the key properties of 3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide?
3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide has a molecular weight of 461.65 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 112765094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).