(2R)-1-(benzenesulfonyl)-N-naphthalen-1-yl-5-oxopyrrolidine-2-carboxamide

C21H18N2O4S — CID 92726400

IUPAC(2R)-1-(benzenesulfonyl)-N-naphthalen-1-yl-5-oxopyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc2ccccc12)[C@H]1CCC(=O)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H18N2O4S/c24-20-14-13-19(23(20)28(26,27)16-9-2-1-3-10-16)21(25)22-18-12-6-8-15-7-4-5-11-17(15)18/h1-12,19H,13-14H2,(H,22,25)/t19-/m1/s1
InChIKeyDLVNCHDFAINHTA-LJQANCHMSA-N
MW394.45 g/mol
LogP3.16
Rot. Bonds4

About (2R)-1-(benzenesulfonyl)-N-naphthalen-1-yl-5-oxopyrrolidine-2-carboxamide

(2R)-1-(benzenesulfonyl)-N-naphthalen-1-yl-5-oxopyrrolidine-2-carboxamide (PubChem CID 92726400) has the molecular formula C21H18N2O4S and a molecular weight of 394.45 g/mol. Its IUPAC name is (2R)-1-(benzenesulfonyl)-N-naphthalen-1-yl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(benzenesulfonyl)-N-naphthalen-1-yl-5-oxopyrrolidine-2-carboxamide
PubChem CID92726400
Molecular FormulaC21H18N2O4S
Molecular Weight394.45 g/mol
Exact Mass394.10
IUPAC Name(2R)-1-(benzenesulfonyl)-N-naphthalen-1-yl-5-oxopyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc2ccccc12)[C@H]1CCC(=O)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H18N2O4S/c24-20-14-13-19(23(20)28(26,27)16-9-2-1-3-10-16)21(25)22-18-12-6-8-15-7-4-5-11-17(15)18/h1-12,19H,13-14H2,(H,22,25)/t19-/m1/s1
InChIKeyDLVNCHDFAINHTA-LJQANCHMSA-N
XLogP3.16
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(benzenesulfonyl)-N-naphthalen-1-ylpyrrolidine-2-carboxamide
CID 992693
(2R)-N-(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 92712425
2-[[(2S)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbonyl]amino]benzoate
CID 6987638
1-(benzenesulfonyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 110387691
(2S)-1-(4-fluorophenyl)sulfonyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 93072370
1-(benzenesulfonyl)-N-cycloheptyl-5-oxopyrrolidine-2-carboxamide
CID 110387732
(2R)-1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 93072389
1-(benzenesulfonyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 46351356
(2R)-N-(2,5-dimethylphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 92850386
(2R)-1-(4-methoxyphenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide
CID 1296474
(3S)-2-(4-fluorophenyl)sulfonyl-N-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 1129371
1-amino-N-naphthalen-1-ylpiperidine-2-carboxamide
CID 10015912

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(benzenesulfonyl)-N-naphthalen-1-yl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(benzenesulfonyl)-N-naphthalen-1-yl-5-oxopyrrolidine-2-carboxamide (CID 92726400) is (2R)-1-(benzenesulfonyl)-N-naphthalen-1-yl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(benzenesulfonyl)-N-naphthalen-1-yl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(benzenesulfonyl)-N-naphthalen-1-yl-5-oxopyrrolidine-2-carboxamide is O=C(Nc1cccc2ccccc12)[C@H]1CCC(=O)N1S(=O)(=O)c1ccccc1.
What is the InChIKey of (2R)-1-(benzenesulfonyl)-N-naphthalen-1-yl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is DLVNCHDFAINHTA-LJQANCHMSA-N. The full InChI is InChI=1S/C21H18N2O4S/c24-20-14-13-19(23(20)28(26,27)16-9-2-1-3-10-16)21(25)22-18-12-6-8-15-7-4-5-11-17(15)18/h1-12,19H,13-14H2,(H,22,25)/t19-/m1/s1.
What are the key properties of (2R)-1-(benzenesulfonyl)-N-naphthalen-1-yl-5-oxopyrrolidine-2-carboxamide?
(2R)-1-(benzenesulfonyl)-N-naphthalen-1-yl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(benzenesulfonyl)-N-naphthalen-1-yl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 92726400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).