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

C23H26FN3O5S — CID 42925894

IUPAC1-cyclopentyl-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N(C3CCCC3)C2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H26FN3O5S/c1-32-21-11-8-17(13-20(21)26-33(30,31)19-9-6-16(24)7-10-19)25-23(29)15-12-22(28)27(14-15)18-4-2-3-5-18/h6-11,13,15,18,26H,2-5,12,14H2,1H3,(H,25,29)
InChIKeyPOJXNDXNMWCSOA-UHFFFAOYSA-N
MW475.54 g/mol
LogP3.36
Rot. Bonds7

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

1-cyclopentyl-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 42925894) has the molecular formula C23H26FN3O5S and a molecular weight of 475.54 g/mol. Its IUPAC name is 1-cyclopentyl-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID42925894
Molecular FormulaC23H26FN3O5S
Molecular Weight475.54 g/mol
Exact Mass475.16
IUPAC Name1-cyclopentyl-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N(C3CCCC3)C2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H26FN3O5S/c1-32-21-11-8-17(13-20(21)26-33(30,31)19-9-6-16(24)7-10-19)25-23(29)15-12-22(28)27(14-15)18-4-2-3-5-18/h6-11,13,15,18,26H,2-5,12,14H2,1H3,(H,25,29)
InChIKeyPOJXNDXNMWCSOA-UHFFFAOYSA-N
XLogP3.36
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.54
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-benzyl-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide
CID 41152610
(3R)-1-cyclopentyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364595
1-cyclopentyl-N-(2-methoxy-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081334
1-cyclobutyl-N-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 110687575
1-cyclopentyl-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55360189
1-cyclopentyl-5-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17081418
(3S)-1-cyclopentyl-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364552
N-(3,4-dimethoxyphenyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 90567907
(3S)-1-cyclohexyl-5-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 51698449
1-cyclopropyl-3-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]thiourea
CID 8603844
(3S)-N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 7336952
(3S)-1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8572944

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide (CID 42925894) is 1-cyclopentyl-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(NC(=O)C2CC(=O)N(C3CCCC3)C2)cc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-cyclopentyl-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is POJXNDXNMWCSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O5S/c1-32-21-11-8-17(13-20(21)26-33(30,31)19-9-6-16(24)7-10-19)25-23(29)15-12-22(28)27(14-15)18-4-2-3-5-18/h6-11,13,15,18,26H,2-5,12,14H2,1H3,(H,25,29).
What are the key properties of 1-cyclopentyl-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide?
1-cyclopentyl-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 475.54 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42925894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).