(2S)-N-benzyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide

C22H22N2O3S — CID 7421735

IUPAC(2S)-N-benzyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H22N2O3S/c25-22(23-16-17-7-2-1-3-8-17)21-11-6-14-24(21)28(26,27)20-13-12-18-9-4-5-10-19(18)15-20/h1-5,7-10,12-13,15,21H,6,11,14,16H2,(H,23,25)/t21-/m0/s1
InChIKeyWWMNYCGXWSWXPW-NRFANRHFSA-N
MW394.50 g/mol
LogP3.31
Rot. Bonds5

About (2S)-N-benzyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide

(2S)-N-benzyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 7421735) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is (2S)-N-benzyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-benzyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID7421735
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name(2S)-N-benzyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H22N2O3S/c25-22(23-16-17-7-2-1-3-8-17)21-11-6-14-24(21)28(26,27)20-13-12-18-9-4-5-10-19(18)15-20/h1-5,7-10,12-13,15,21H,6,11,14,16H2,(H,23,25)/t21-/m0/s1
InChIKeyWWMNYCGXWSWXPW-NRFANRHFSA-N
XLogP3.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-naphthalen-2-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 990825
(2R)-1-naphthalen-2-ylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 8779427
(2S)-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 8779741
N-ethyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 6460526
(2S)-N-benzyl-1-(3,4-dimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 110286168
1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide
CID 4320284
(2S)-N-benzyl-1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 110286174
(2S)-N-cyclopropyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 2295117
(2R)-1-naphthalen-2-ylsulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 8779363
(2R)-N-[2-(2-benzylphenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 42559337
N-benzhydryl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 42696103
(2S)-N-benzyl-1-(4-ethylphenyl)sulfonylpiperidine-2-carboxamide
CID 101173679

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-benzyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide (CID 7421735) is (2S)-N-benzyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-benzyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-benzyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide is O=C(NCc1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2S)-N-benzyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is WWMNYCGXWSWXPW-NRFANRHFSA-N. The full InChI is InChI=1S/C22H22N2O3S/c25-22(23-16-17-7-2-1-3-8-17)21-11-6-14-24(21)28(26,27)20-13-12-18-9-4-5-10-19(18)15-20/h1-5,7-10,12-13,15,21H,6,11,14,16H2,(H,23,25)/t21-/m0/s1.
What are the key properties of (2S)-N-benzyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
(2S)-N-benzyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 7421735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).