1-(benzenesulfonyl)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

C25H25N3O5S — CID 43059447

IUPAC1-(benzenesulfonyl)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O5S/c1-33-23-12-6-5-10-21(23)27-24(29)18-13-15-19(16-14-18)26-25(30)22-11-7-17-28(22)34(31,32)20-8-3-2-4-9-20/h2-6,8-10,12-16,22H,7,11,17H2,1H3,(H,26,30)(H,27,29)
InChIKeyWLKWDVMDYJQLRH-UHFFFAOYSA-N
MW479.56 g/mol
LogP3.74
Rot. Bonds7

About 1-(benzenesulfonyl)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

1-(benzenesulfonyl)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 43059447) has the molecular formula C25H25N3O5S and a molecular weight of 479.56 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide
PubChem CID43059447
Molecular FormulaC25H25N3O5S
Molecular Weight479.56 g/mol
Exact Mass479.15
IUPAC Name1-(benzenesulfonyl)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O5S/c1-33-23-12-6-5-10-21(23)27-24(29)18-13-15-19(16-14-18)26-25(30)22-11-7-17-28(22)34(31,32)20-8-3-2-4-9-20/h2-6,8-10,12-16,22H,7,11,17H2,1H3,(H,26,30)(H,27,29)
InChIKeyWLKWDVMDYJQLRH-UHFFFAOYSA-N
XLogP3.74
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 46586257
methyl 2-[[4-[[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]amino]benzoyl]amino]acetate
CID 43059754
methyl 4-[[(2R)-1-(benzenesulfonyl)piperidine-2-carbonyl]amino]benzoate
CID 8765077
N-(2-methoxyphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 999491
1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 46482849
1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16828016
(2R)-1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-2-carboxamide
CID 2648526
N-(4-anilinophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 108789803
1-(benzenesulfonyl)-N-(4-tert-butylphenyl)piperidine-2-carboxamide
CID 2928504
1-(benzenesulfonyl)-N-[4-(diethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 46588184
methyl 4-[[(2R)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate
CID 1304571
methyl 4-[[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate
CID 1304570

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide (CID 43059447) is 1-(benzenesulfonyl)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide is COc1ccccc1NC(=O)c1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is WLKWDVMDYJQLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5S/c1-33-23-12-6-5-10-21(23)27-24(29)18-13-15-19(16-14-18)26-25(30)22-11-7-17-28(22)34(31,32)20-8-3-2-4-9-20/h2-6,8-10,12-16,22H,7,11,17H2,1H3,(H,26,30)(H,27,29).
What are the key properties of 1-(benzenesulfonyl)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide?
1-(benzenesulfonyl)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 479.56 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 43059447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).