(2S)-1-(benzenesulfonyl)-N-naphthalen-1-ylpyrrolidine-2-carboxamide

C21H20N2O3S — CID 992693

IUPAC(2S)-1-(benzenesulfonyl)-N-naphthalen-1-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc2ccccc12)[C@@H]1CCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H20N2O3S/c24-21(22-19-13-6-9-16-8-4-5-12-18(16)19)20-14-7-15-23(20)27(25,26)17-10-2-1-3-11-17/h1-6,8-13,20H,7,14-15H2,(H,22,24)/t20-/m0/s1
InChIKeyCEBMKSJWGQTXSV-FQEVSTJZSA-N
MW380.47 g/mol
LogP3.63
Rot. Bonds4

About (2S)-1-(benzenesulfonyl)-N-naphthalen-1-ylpyrrolidine-2-carboxamide

(2S)-1-(benzenesulfonyl)-N-naphthalen-1-ylpyrrolidine-2-carboxamide (PubChem CID 992693) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is (2S)-1-(benzenesulfonyl)-N-naphthalen-1-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(benzenesulfonyl)-N-naphthalen-1-ylpyrrolidine-2-carboxamide
PubChem CID992693
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name(2S)-1-(benzenesulfonyl)-N-naphthalen-1-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc2ccccc12)[C@@H]1CCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H20N2O3S/c24-21(22-19-13-6-9-16-8-4-5-12-18(16)19)20-14-7-15-23(20)27(25,26)17-10-2-1-3-11-17/h1-6,8-13,20H,7,14-15H2,(H,22,24)/t20-/m0/s1
InChIKeyCEBMKSJWGQTXSV-FQEVSTJZSA-N
XLogP3.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-methoxyphenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide
CID 1296474
1-(benzenesulfonyl)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide
CID 43926596
methyl 1-methyl-4-[(2R)-2-(naphthalen-1-ylcarbamoyl)pyrrolidin-1-yl]sulfonylpyrrole-2-carboxylate
CID 95063627
(2R)-1-(benzenesulfonyl)-N-naphthalen-1-yl-5-oxopyrrolidine-2-carboxamide
CID 92726400
ethyl 1-methyl-4-[(2R)-2-(naphthalen-1-ylcarbamoyl)pyrrolidin-1-yl]sulfonylpyrrole-2-carboxylate
CID 93052758
(2R)-1-(5-methoxy-2-methylphenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide
CID 30127788
1-(benzenesulfonyl)pyrrolidine-2-carbohydrazide
CID 555761
1-amino-N-naphthalen-1-ylpiperidine-2-carboxamide
CID 10015912
2-[3-[[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]amino]phenyl]acetic acid
CID 119351880
1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)pyrrolidine-2-carboxamide
CID 84834429
(2S)-1-(benzenesulfonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 165121500
1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide
CID 4320284

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(benzenesulfonyl)-N-naphthalen-1-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(benzenesulfonyl)-N-naphthalen-1-ylpyrrolidine-2-carboxamide (CID 992693) is (2S)-1-(benzenesulfonyl)-N-naphthalen-1-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(benzenesulfonyl)-N-naphthalen-1-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(benzenesulfonyl)-N-naphthalen-1-ylpyrrolidine-2-carboxamide is O=C(Nc1cccc2ccccc12)[C@@H]1CCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of (2S)-1-(benzenesulfonyl)-N-naphthalen-1-ylpyrrolidine-2-carboxamide?
The InChIKey is CEBMKSJWGQTXSV-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H20N2O3S/c24-21(22-19-13-6-9-16-8-4-5-12-18(16)19)20-14-7-15-23(20)27(25,26)17-10-2-1-3-11-17/h1-6,8-13,20H,7,14-15H2,(H,22,24)/t20-/m0/s1.
What are the key properties of (2S)-1-(benzenesulfonyl)-N-naphthalen-1-ylpyrrolidine-2-carboxamide?
(2S)-1-(benzenesulfonyl)-N-naphthalen-1-ylpyrrolidine-2-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(benzenesulfonyl)-N-naphthalen-1-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 992693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).