(2S)-N-(4-methylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide

C17H20N2O5S3 — CID 27452267

IUPAC(2S)-N-(4-methylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C17H20N2O5S3/c1-26(21,22)14-9-7-13(8-10-14)18-17(20)15-5-2-3-11-19(15)27(23,24)16-6-4-12-25-16/h4,6-10,12,15H,2-3,5,11H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyJXUAIOSPJYAOAO-HNNXBMFYSA-N
MW428.56 g/mol
LogP2.33
Rot. Bonds5

About (2S)-N-(4-methylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide

(2S)-N-(4-methylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide (PubChem CID 27452267) has the molecular formula C17H20N2O5S3 and a molecular weight of 428.56 g/mol. Its IUPAC name is (2S)-N-(4-methylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-methylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
PubChem CID27452267
Molecular FormulaC17H20N2O5S3
Molecular Weight428.56 g/mol
Exact Mass428.05
IUPAC Name(2S)-N-(4-methylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C17H20N2O5S3/c1-26(21,22)14-9-7-13(8-10-14)18-17(20)15-5-2-3-11-19(15)27(23,24)16-6-4-12-25-16/h4,6-10,12,15H,2-3,5,11H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyJXUAIOSPJYAOAO-HNNXBMFYSA-N
XLogP2.33
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-N-(4-methylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-2-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

(2S)-N-(4-fluorophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614841
(2R)-N-(4-chlorophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614814
N-[4-(cyclopentylmethylamino)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 56555653
N-(3,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341686
N-(1,3-dioxoisoindol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826406
1-(4-methylphenyl)sulfonyl-N-(4-methylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 16827882
(2R)-N-(1-benzothiophen-5-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614806
N-(6-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826437
N-(2-methyl-1,3-dioxoisoindol-5-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 16830717
(2S)-1-thiophen-2-ylsulfonylpiperidine-2-carbonyl chloride
CID 42281719
N-(6-acetamido-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826295
N-cyclohexyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110285845

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-methylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide (CID 27452267) is (2S)-N-(4-methylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-methylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-methylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide is CS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)cc1.
What is the InChIKey of (2S)-N-(4-methylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide?
The InChIKey is JXUAIOSPJYAOAO-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N2O5S3/c1-26(21,22)14-9-7-13(8-10-14)18-17(20)15-5-2-3-11-19(15)27(23,24)16-6-4-12-25-16/h4,6-10,12,15H,2-3,5,11H2,1H3,(H,18,20)/t15-/m0/s1.
What are the key properties of (2S)-N-(4-methylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide?
(2S)-N-(4-methylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide has a molecular weight of 428.56 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 27452267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).