1-(3-chloro-4-methylphenyl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide

C25H30ClN3O4S — CID 17080992

IUPAC1-(3-chloro-4-methylphenyl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)C2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1
InChIInChI=1S/C25H30ClN3O4S/c1-3-20-6-4-5-13-29(20)34(32,33)22-11-8-19(9-12-22)27-25(31)18-14-24(30)28(16-18)21-10-7-17(2)23(26)15-21/h7-12,15,18,20H,3-6,13-14,16H2,1-2H3,(H,27,31)
InChIKeyWVLPOCVJIYKVIL-UHFFFAOYSA-N
MW504.05 g/mol
LogP4.59
Rot. Bonds6

About 1-(3-chloro-4-methylphenyl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide

1-(3-chloro-4-methylphenyl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 17080992) has the molecular formula C25H30ClN3O4S and a molecular weight of 504.05 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID17080992
Molecular FormulaC25H30ClN3O4S
Molecular Weight504.05 g/mol
Exact Mass503.16
IUPAC Name1-(3-chloro-4-methylphenyl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)C2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1
InChIInChI=1S/C25H30ClN3O4S/c1-3-20-6-4-5-13-29(20)34(32,33)22-11-8-19(9-12-22)27-25(31)18-14-24(30)28(16-18)21-10-7-17(2)23(26)15-21/h7-12,15,18,20H,3-6,13-14,16H2,1-2H3,(H,27,31)
InChIKeyWVLPOCVJIYKVIL-UHFFFAOYSA-N
XLogP4.59
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.05
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080793
1-tert-butyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 6497373
N-[4-(butan-2-ylsulfamoyl)phenyl]-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6497336
(3R)-1-(3,4-dimethylphenyl)-5-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 40964173
1-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 171665866
1-butyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 17082673
1-(3-chloro-4-methylphenyl)-N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 3153872
1-(3-chloro-4-methylphenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 6462969
1-(3-chloro-4-methylphenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113187821
1-(3-chloro-4-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 17225493
2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 28962638
1-(4-bromophenyl)-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2889867

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide (CID 17080992) is 1-(3-chloro-4-methylphenyl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide is CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)C2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WVLPOCVJIYKVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O4S/c1-3-20-6-4-5-13-29(20)34(32,33)22-11-8-19(9-12-22)27-25(31)18-14-24(30)28(16-18)21-10-7-17(2)23(26)15-21/h7-12,15,18,20H,3-6,13-14,16H2,1-2H3,(H,27,31).
What are the key properties of 1-(3-chloro-4-methylphenyl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide?
1-(3-chloro-4-methylphenyl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 504.05 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17080992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).