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

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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).