5-chloro-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-carboxamide

C12H15ClN2O2S — CID 45236630

IUPAC5-chloro-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-carboxamide
SMILESCC(C)N1CC(NC(=O)c2ccc(Cl)s2)CC1=O
InChIInChI=1S/C12H15ClN2O2S/c1-7(2)15-6-8(5-11(15)16)14-12(17)9-3-4-10(13)18-9/h3-4,7-8H,5-6H2,1-2H3,(H,14,17)
InChIKeyKDSWETUNKVFVGK-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.14
Rot. Bonds3

About 5-chloro-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-carboxamide

5-chloro-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-carboxamide (PubChem CID 45236630) has the molecular formula C12H15ClN2O2S and a molecular weight of 286.78 g/mol. Its IUPAC name is 5-chloro-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-carboxamide
PubChem CID45236630
Molecular FormulaC12H15ClN2O2S
Molecular Weight286.78 g/mol
Exact Mass286.05
IUPAC Name5-chloro-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-carboxamide
SMILESCC(C)N1CC(NC(=O)c2ccc(Cl)s2)CC1=O
InChIInChI=1S/C12H15ClN2O2S/c1-7(2)15-6-8(5-11(15)16)14-12(17)9-3-4-10(13)18-9/h3-4,7-8H,5-6H2,1-2H3,(H,14,17)
InChIKeyKDSWETUNKVFVGK-UHFFFAOYSA-N
XLogP2.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-carboxamide 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-cyclopentylthiophene-2-carboxamide
CID 1244060
5-chloro-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 1246546
N,N'-butane-1,4-diylbis(5-chlorothiophene-2-carboxamide)
CID 3100298
(5-Chlorothiophen-2-yl)(4-methyl-1,4-diazepan-1-yl)methanone
CID 6467948
(5-Chlorothiophen-2-yl)-pyrrolidin-1-ylmethanone
CID 1247382
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 45812869
1-[1-(5-Chlorothiophen-2-yl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 45814262
n-(1-(5-Chlorothiophen-2-yl)ethyl)thiophene-2-carboxamide
CID 45879082
[1-(5-Chlorothiophene-2-carbonyl)piperidin-2-yl]methylurea
CID 53607981
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-2-carboxamide
CID 71789221
5-chloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-2-carboxamide
CID 71789241
N-{4-[(Dimethylamino)methyl]-1-methylpyrrolidin-3-YL}-5-methylthiophene-2-carboxamide
CID 91910916

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-carboxamide (CID 45236630) is 5-chloro-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-carboxamide is CC(C)N1CC(NC(=O)c2ccc(Cl)s2)CC1=O.
What is the InChIKey of 5-chloro-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-carboxamide?
The InChIKey is KDSWETUNKVFVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2S/c1-7(2)15-6-8(5-11(15)16)14-12(17)9-3-4-10(13)18-9/h3-4,7-8H,5-6H2,1-2H3,(H,14,17).
What are the key properties of 5-chloro-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-carboxamide?
5-chloro-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-carboxamide has a molecular weight of 286.78 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 45236630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).