(3R)-1-benzyl-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide

C25H24FN3O5S — CID 41152610

IUPAC(3R)-1-benzyl-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C25H24FN3O5S/c1-34-23-12-9-20(14-22(23)28-35(32,33)21-10-7-19(26)8-11-21)27-25(31)18-13-24(30)29(16-18)15-17-5-3-2-4-6-17/h2-12,14,18,28H,13,15-16H2,1H3,(H,27,31)/t18-/m1/s1
InChIKeySFPAMFRSWTXZRJ-GOSISDBHSA-N
MW497.55 g/mol
LogP3.62
Rot. Bonds8

About (3R)-1-benzyl-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-benzyl-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 41152610) has the molecular formula C25H24FN3O5S and a molecular weight of 497.55 g/mol. Its IUPAC name is (3R)-1-benzyl-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-benzyl-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID41152610
Molecular FormulaC25H24FN3O5S
Molecular Weight497.55 g/mol
Exact Mass497.14
IUPAC Name(3R)-1-benzyl-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C25H24FN3O5S/c1-34-23-12-9-20(14-22(23)28-35(32,33)21-10-7-19(26)8-11-21)27-25(31)18-13-24(30)29(16-18)15-17-5-3-2-4-6-17/h2-12,14,18,28H,13,15-16H2,1H3,(H,27,31)/t18-/m1/s1
InChIKeySFPAMFRSWTXZRJ-GOSISDBHSA-N
XLogP3.62
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.55
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide
CID 42925894
1-benzyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 4834845
1-benzyl-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46402015
1-benzyl-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42992516
(3S)-1-benzyl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 34363990
N-(2,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183565
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-benzyl-5-oxopyrrolidine-3-carboxamide
CID 42996257
(3R)-1-benzyl-N-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40602528
N-(3,4-difluorophenyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183892
N-(3-chloro-4-methoxyphenyl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 44777957
N-(3,4-dimethoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46797618
N-(3-chloro-4-methoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184349

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-benzyl-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide (CID 41152610) is (3R)-1-benzyl-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-benzyl-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-benzyl-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (3R)-1-benzyl-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SFPAMFRSWTXZRJ-GOSISDBHSA-N. The full InChI is InChI=1S/C25H24FN3O5S/c1-34-23-12-9-20(14-22(23)28-35(32,33)21-10-7-19(26)8-11-21)27-25(31)18-13-24(30)29(16-18)15-17-5-3-2-4-6-17/h2-12,14,18,28H,13,15-16H2,1H3,(H,27,31)/t18-/m1/s1.
What are the key properties of (3R)-1-benzyl-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-benzyl-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 497.55 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 41152610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).