1-cyclopentyl-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C20H29N3O5S — CID 55360189

IUPAC1-cyclopentyl-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(NC(=O)C2CC(=O)N(C3CCCC3)C2)cc1
InChIInChI=1S/C20H29N3O5S/c1-14(13-28-2)22-29(26,27)18-9-7-16(8-10-18)21-20(25)15-11-19(24)23(12-15)17-5-3-4-6-17/h7-10,14-15,17,22H,3-6,11-13H2,1-2H3,(H,21,25)
InChIKeyBUMTVPUTYTYXKZ-UHFFFAOYSA-N
MW423.54 g/mol
LogP1.73
Rot. Bonds8

About 1-cyclopentyl-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-cyclopentyl-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55360189) has the molecular formula C20H29N3O5S and a molecular weight of 423.54 g/mol. Its IUPAC name is 1-cyclopentyl-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55360189
Molecular FormulaC20H29N3O5S
Molecular Weight423.54 g/mol
Exact Mass423.18
IUPAC Name1-cyclopentyl-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(NC(=O)C2CC(=O)N(C3CCCC3)C2)cc1
InChIInChI=1S/C20H29N3O5S/c1-14(13-28-2)22-29(26,27)18-9-7-16(8-10-18)21-20(25)15-11-19(24)23(12-15)17-5-3-4-6-17/h7-10,14-15,17,22H,3-6,11-13H2,1-2H3,(H,21,25)
InChIKeyBUMTVPUTYTYXKZ-UHFFFAOYSA-N
XLogP1.73
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 7336952
1-cyclopentyl-5-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17081418
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 42999583
1-(1,3-benzodioxol-5-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 43060223
(3S)-1-cyclohexyl-5-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 51698449
N-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113185550
methyl 4-[[(3S)-1-cyclohexyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 40636618
(3S)-1-cyclohexyl-N-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 40830625
(3R)-1-cyclohexyl-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40596002
1-cyclopentyl-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide
CID 42925894
(3R)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40634791
(3S)-N-[4-(ethylsulfamoyl)phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9373536

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 55360189) is 1-cyclopentyl-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is COCC(C)NS(=O)(=O)c1ccc(NC(=O)C2CC(=O)N(C3CCCC3)C2)cc1.
What is the InChIKey of 1-cyclopentyl-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BUMTVPUTYTYXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O5S/c1-14(13-28-2)22-29(26,27)18-9-7-16(8-10-18)21-20(25)15-11-19(24)23(12-15)17-5-3-4-6-17/h7-10,14-15,17,22H,3-6,11-13H2,1-2H3,(H,21,25).
What are the key properties of 1-cyclopentyl-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-cyclopentyl-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 423.54 g/mol, XLogP of 1.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55360189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).