(2S)-N-[(3-chlorophenyl)methyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide

C16H17ClN2O3S2 — CID 95595336

IUPAC(2S)-N-[(3-chlorophenyl)methyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)[C@@H]1CCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C16H17ClN2O3S2/c17-13-5-1-4-12(10-13)11-18-16(20)14-6-2-8-19(14)24(21,22)15-7-3-9-23-15/h1,3-5,7,9-10,14H,2,6,8,11H2,(H,18,20)/t14-/m0/s1
InChIKeyYRQFIWISVXXJFW-AWEZNQCLSA-N
MW384.91 g/mol
LogP2.87
Rot. Bonds5

About (2S)-N-[(3-chlorophenyl)methyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide

(2S)-N-[(3-chlorophenyl)methyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 95595336) has the molecular formula C16H17ClN2O3S2 and a molecular weight of 384.91 g/mol. Its IUPAC name is (2S)-N-[(3-chlorophenyl)methyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(3-chlorophenyl)methyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID95595336
Molecular FormulaC16H17ClN2O3S2
Molecular Weight384.91 g/mol
Exact Mass384.04
IUPAC Name(2S)-N-[(3-chlorophenyl)methyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)[C@@H]1CCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C16H17ClN2O3S2/c17-13-5-1-4-12(10-13)11-18-16(20)14-6-2-8-19(14)24(21,22)15-7-3-9-23-15/h1,3-5,7,9-10,14H,2,6,8,11H2,(H,18,20)/t14-/m0/s1
InChIKeyYRQFIWISVXXJFW-AWEZNQCLSA-N
XLogP2.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 71684075
(2S)-N-(2-acetamidoethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799718
(2R)-N-(2-acetamidoethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799719
(2R)-N-(4-chlorophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614814
(2R)-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 52822946
N-(3-aminopropyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 119405132
(2S)-N-[(3-methylphenyl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 33283433
(3S)-N-[2-(3-chlorophenyl)ethyl]-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55934929
(2S)-N-[(2R)-2-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 95273287
N-cyclohexyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110285845
1-thiophen-2-ylsulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 133210632
(3R)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802323

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-chlorophenyl)methyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(3-chlorophenyl)methyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide (CID 95595336) is (2S)-N-[(3-chlorophenyl)methyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(3-chlorophenyl)methyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(3-chlorophenyl)methyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide is O=C(NCc1cccc(Cl)c1)[C@@H]1CCCN1S(=O)(=O)c1cccs1.
What is the InChIKey of (2S)-N-[(3-chlorophenyl)methyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is YRQFIWISVXXJFW-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17ClN2O3S2/c17-13-5-1-4-12(10-13)11-18-16(20)14-6-2-8-19(14)24(21,22)15-7-3-9-23-15/h1,3-5,7,9-10,14H,2,6,8,11H2,(H,18,20)/t14-/m0/s1.
What are the key properties of (2S)-N-[(3-chlorophenyl)methyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
(2S)-N-[(3-chlorophenyl)methyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 384.91 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-chlorophenyl)methyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 95595336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).