(2S)-N-(benzenesulfonyl)-1-benzylpyrrolidine-2-carboxamide

C18H20N2O3S — CID 97249158

IUPAC(2S)-N-(benzenesulfonyl)-1-benzylpyrrolidine-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C18H20N2O3S/c21-18(19-24(22,23)16-10-5-2-6-11-16)17-12-7-13-20(17)14-15-8-3-1-4-9-15/h1-6,8-11,17H,7,12-14H2,(H,19,21)/t17-/m0/s1
InChIKeyIEPOKUAPGFLINT-KRWDZBQOSA-N
MW344.44 g/mol
LogP2.16
Rot. Bonds5

About (2S)-N-(benzenesulfonyl)-1-benzylpyrrolidine-2-carboxamide

(2S)-N-(benzenesulfonyl)-1-benzylpyrrolidine-2-carboxamide (PubChem CID 97249158) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is (2S)-N-(benzenesulfonyl)-1-benzylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(benzenesulfonyl)-1-benzylpyrrolidine-2-carboxamide
PubChem CID97249158
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name(2S)-N-(benzenesulfonyl)-1-benzylpyrrolidine-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C18H20N2O3S/c21-18(19-24(22,23)16-10-5-2-6-11-16)17-12-7-13-20(17)14-15-8-3-1-4-9-15/h1-6,8-11,17H,7,12-14H2,(H,19,21)/t17-/m0/s1
InChIKeyIEPOKUAPGFLINT-KRWDZBQOSA-N
XLogP2.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide
CID 60579538
benzyl (2R)-2-(benzenesulfonylcarbamoyl)pyrrolidine-1-carboxylate
CID 89441344
(2R)-1-benzyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 51861391
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
ethyl N-[(1-benzylpyrrolidine-2-carbonyl)amino]carbamate
CID 60579128
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985
(2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide
CID 131848769
4-[[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 124703936
1-benzyl-N-(1-hydroxypropan-2-yl)pyrrolidine-2-carboxamide
CID 110904280
1-benzyl-N-[2-(methylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 120829939
1-(1-benzylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 70799307
(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 23282646

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(benzenesulfonyl)-1-benzylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(benzenesulfonyl)-1-benzylpyrrolidine-2-carboxamide (CID 97249158) is (2S)-N-(benzenesulfonyl)-1-benzylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(benzenesulfonyl)-1-benzylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(benzenesulfonyl)-1-benzylpyrrolidine-2-carboxamide is O=C(NS(=O)(=O)c1ccccc1)[C@@H]1CCCN1Cc1ccccc1.
What is the InChIKey of (2S)-N-(benzenesulfonyl)-1-benzylpyrrolidine-2-carboxamide?
The InChIKey is IEPOKUAPGFLINT-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20N2O3S/c21-18(19-24(22,23)16-10-5-2-6-11-16)17-12-7-13-20(17)14-15-8-3-1-4-9-15/h1-6,8-11,17H,7,12-14H2,(H,19,21)/t17-/m0/s1.
What are the key properties of (2S)-N-(benzenesulfonyl)-1-benzylpyrrolidine-2-carboxamide?
(2S)-N-(benzenesulfonyl)-1-benzylpyrrolidine-2-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(benzenesulfonyl)-1-benzylpyrrolidine-2-carboxamide is sourced from PubChem (CID 97249158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).