[1-carbamoyl-2-[2-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]ethyl]cyclopentyl] 5-chlorothiophene-2-carboxylate

C24H21ClN2O5S — CID 91535263

IUPAC[1-carbamoyl-2-[2-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]ethyl]cyclopentyl] 5-chlorothiophene-2-carboxylate
SMILESNC(=O)C1(OC(=O)c2ccc(Cl)s2)CCCC1CC(=O)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C24H21ClN2O5S/c25-20-11-10-19(33-20)22(30)32-24(23(26)31)12-3-4-16(24)14-18(28)15-6-8-17(9-7-15)27-13-2-1-5-21(27)29/h1-2,5-11,13,16H,3-4,12,14H2,(H2,26,31)
InChIKeyJYLXPUXEYDWIJS-UHFFFAOYSA-N
MW484.96 g/mol
LogP4.01
Rot. Bonds7

About [1-carbamoyl-2-[2-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]ethyl]cyclopentyl] 5-chlorothiophene-2-carboxylate

[1-carbamoyl-2-[2-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]ethyl]cyclopentyl] 5-chlorothiophene-2-carboxylate (PubChem CID 91535263) has the molecular formula C24H21ClN2O5S and a molecular weight of 484.96 g/mol. Its IUPAC name is [1-carbamoyl-2-[2-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]ethyl]cyclopentyl] 5-chlorothiophene-2-carboxylate.

Molecular Properties

Compound Name[1-carbamoyl-2-[2-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]ethyl]cyclopentyl] 5-chlorothiophene-2-carboxylate
PubChem CID91535263
Molecular FormulaC24H21ClN2O5S
Molecular Weight484.96 g/mol
Exact Mass484.09
IUPAC Name[1-carbamoyl-2-[2-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]ethyl]cyclopentyl] 5-chlorothiophene-2-carboxylate
SMILESNC(=O)C1(OC(=O)c2ccc(Cl)s2)CCCC1CC(=O)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C24H21ClN2O5S/c25-20-11-10-19(33-20)22(30)32-24(23(26)31)12-3-4-16(24)14-18(28)15-6-8-17(9-7-15)27-13-2-1-5-21(27)29/h1-2,5-11,13,16H,3-4,12,14H2,(H2,26,31)
InChIKeyJYLXPUXEYDWIJS-UHFFFAOYSA-N
XLogP4.01
TPSA108.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.96
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-carbamoyl-2-[2-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]ethyl]cyclopentyl] 5-chlorothiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)phenyl]sulfonylmethyl]cyclohexyl]thiophene-2-carboxamide
CID 72981087
5-chloro-N-[(1R,2S,4S)-4-(methoxymethyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]thiophene-2-carboxamide
CID 69441318
N-[(3R)-1-acetyl-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyrrolidin-3-yl]-5-chlorothiophene-2-carboxamide
CID 58845319
5-chloro-N-[1-(methylamino)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propan-2-yl]thiophene-2-carboxamide
CID 10433624
5-chloro-N-[1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]thiophene-2-carboxamide
CID 67308477
5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)phenyl]pyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 58748157
3-[(5-chlorothiophene-2-carbonyl)amino]-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propanoic acid
CID 10003667
5-chloro-N-[[2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 58618158
N-[2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]-4-(2-oxopyrazin-1-yl)benzamide
CID 18453267
molecular hydrogen;4-(2-oxo-1-pyridinyl)benzamide
CID 143214195
5-chlorothiophene-2-carboxamide;methyl 1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 143317052
5-chloro-N-[(1R,2S)-2-[[3-methyl-4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]thiophene-2-carboxamide
CID 11465236

Frequently Asked Questions

What is the IUPAC name of [1-carbamoyl-2-[2-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]ethyl]cyclopentyl] 5-chlorothiophene-2-carboxylate?
The IUPAC name of [1-carbamoyl-2-[2-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]ethyl]cyclopentyl] 5-chlorothiophene-2-carboxylate (CID 91535263) is [1-carbamoyl-2-[2-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]ethyl]cyclopentyl] 5-chlorothiophene-2-carboxylate.
What is the SMILES notation for [1-carbamoyl-2-[2-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]ethyl]cyclopentyl] 5-chlorothiophene-2-carboxylate?
The canonical SMILES for [1-carbamoyl-2-[2-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]ethyl]cyclopentyl] 5-chlorothiophene-2-carboxylate is NC(=O)C1(OC(=O)c2ccc(Cl)s2)CCCC1CC(=O)c1ccc(-n2ccccc2=O)cc1.
What is the InChIKey of [1-carbamoyl-2-[2-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]ethyl]cyclopentyl] 5-chlorothiophene-2-carboxylate?
The InChIKey is JYLXPUXEYDWIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O5S/c25-20-11-10-19(33-20)22(30)32-24(23(26)31)12-3-4-16(24)14-18(28)15-6-8-17(9-7-15)27-13-2-1-5-21(27)29/h1-2,5-11,13,16H,3-4,12,14H2,(H2,26,31).
What are the key properties of [1-carbamoyl-2-[2-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]ethyl]cyclopentyl] 5-chlorothiophene-2-carboxylate?
[1-carbamoyl-2-[2-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]ethyl]cyclopentyl] 5-chlorothiophene-2-carboxylate has a molecular weight of 484.96 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-carbamoyl-2-[2-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]ethyl]cyclopentyl] 5-chlorothiophene-2-carboxylate is sourced from PubChem (CID 91535263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).