(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide

C16H17ClN2O3S2 — CID 31700861

IUPAC(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H17ClN2O3S2/c1-11-5-2-3-6-12(11)18-16(20)13-7-4-10-19(13)24(21,22)15-9-8-14(17)23-15/h2-3,5-6,8-9,13H,4,7,10H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeyQSMDJWPTMUZTPC-ZDUSSCGKSA-N
MW384.91 g/mol
LogP3.50
Rot. Bonds4

About (2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide

(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 31700861) has the molecular formula C16H17ClN2O3S2 and a molecular weight of 384.91 g/mol. Its IUPAC name is (2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide
PubChem CID31700861
Molecular FormulaC16H17ClN2O3S2
Molecular Weight384.91 g/mol
Exact Mass384.04
IUPAC Name(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H17ClN2O3S2/c1-11-5-2-3-6-12(11)18-16(20)13-7-4-10-19(13)24(21,22)15-9-8-14(17)23-15/h2-3,5-6,8-9,13H,4,7,10H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeyQSMDJWPTMUZTPC-ZDUSSCGKSA-N
XLogP3.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methylphenyl)piperidine-2-carboxamide
CID 16826687
1-(5-chlorothiophen-2-yl)sulfonyl-N-(2,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 42937535
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 7614869
(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 7614870
1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16830926
N-(2-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 45153692
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(2,4-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 25496985
1-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)piperidine-2-carboxamide
CID 50762317
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(1,2-dihydroacenaphthylen-5-yl)pyrrolidine-2-carboxamide
CID 25303484
(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(1,2-dihydroacenaphthylen-5-yl)pyrrolidine-2-carboxamide
CID 25303482
(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-2-carboxamide
CID 41343401
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(3-cyano-4,5-dimethylthiophen-2-yl)pyrrolidine-2-carboxamide
CID 41398145

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide (CID 31700861) is (2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide is Cc1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of (2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is QSMDJWPTMUZTPC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17ClN2O3S2/c1-11-5-2-3-6-12(11)18-16(20)13-7-4-10-19(13)24(21,22)15-9-8-14(17)23-15/h2-3,5-6,8-9,13H,4,7,10H2,1H3,(H,18,20)/t13-/m0/s1.
What are the key properties of (2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide?
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 384.91 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 31700861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).