(3R)-1-(4-fluorophenyl)-5-oxo-N-[4-(2-phenylethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide

C25H24FN3O4S — CID 41002442

IUPAC(3R)-1-(4-fluorophenyl)-5-oxo-N-[4-(2-phenylethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C25H24FN3O4S/c26-20-6-10-22(11-7-20)29-17-19(16-24(29)30)25(31)28-21-8-12-23(13-9-21)34(32,33)27-15-14-18-4-2-1-3-5-18/h1-13,19,27H,14-17H2,(H,28,31)/t19-/m1/s1
InChIKeyNQOUJQRFRRHBOB-LJQANCHMSA-N
MW481.55 g/mol
LogP3.34
Rot. Bonds8

About (3R)-1-(4-fluorophenyl)-5-oxo-N-[4-(2-phenylethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide

(3R)-1-(4-fluorophenyl)-5-oxo-N-[4-(2-phenylethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 41002442) has the molecular formula C25H24FN3O4S and a molecular weight of 481.55 g/mol. Its IUPAC name is (3R)-1-(4-fluorophenyl)-5-oxo-N-[4-(2-phenylethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-fluorophenyl)-5-oxo-N-[4-(2-phenylethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID41002442
Molecular FormulaC25H24FN3O4S
Molecular Weight481.55 g/mol
Exact Mass481.15
IUPAC Name(3R)-1-(4-fluorophenyl)-5-oxo-N-[4-(2-phenylethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C25H24FN3O4S/c26-20-6-10-22(11-7-20)29-17-19(16-24(29)30)25(31)28-21-8-12-23(13-9-21)34(32,33)27-15-14-18-4-2-1-3-5-18/h1-13,19,27H,14-17H2,(H,28,31)/t19-/m1/s1
InChIKeyNQOUJQRFRRHBOB-LJQANCHMSA-N
XLogP3.34
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-[4-(2-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17081888
(3R)-1-(4-fluorophenyl)-5-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide
CID 41002454
1-(4-acetamidophenyl)-N-[4-(butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17120183
1-(4-methoxyphenyl)-5-oxo-N-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17321737
(3R)-1-(4-ethoxyphenyl)-5-oxo-N-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 41002496
(3R)-1-(3,4-dimethylphenyl)-5-oxo-N-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 40964186
N-[4-(3-methoxypropylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160789
(3R)-5-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]-1-phenylpyrrolidine-3-carboxamide
CID 41002376
(3R)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40634791
(3S)-N-(4-fluorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 9100479
(3R)-N-[2-(benzenesulfonamido)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 29132221
(3R)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1154558

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-fluorophenyl)-5-oxo-N-[4-(2-phenylethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-fluorophenyl)-5-oxo-N-[4-(2-phenylethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide (CID 41002442) is (3R)-1-(4-fluorophenyl)-5-oxo-N-[4-(2-phenylethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-fluorophenyl)-5-oxo-N-[4-(2-phenylethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-fluorophenyl)-5-oxo-N-[4-(2-phenylethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide is O=C(Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of (3R)-1-(4-fluorophenyl)-5-oxo-N-[4-(2-phenylethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is NQOUJQRFRRHBOB-LJQANCHMSA-N. The full InChI is InChI=1S/C25H24FN3O4S/c26-20-6-10-22(11-7-20)29-17-19(16-24(29)30)25(31)28-21-8-12-23(13-9-21)34(32,33)27-15-14-18-4-2-1-3-5-18/h1-13,19,27H,14-17H2,(H,28,31)/t19-/m1/s1.
What are the key properties of (3R)-1-(4-fluorophenyl)-5-oxo-N-[4-(2-phenylethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
(3R)-1-(4-fluorophenyl)-5-oxo-N-[4-(2-phenylethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 481.55 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-fluorophenyl)-5-oxo-N-[4-(2-phenylethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 41002442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).