2-(5-chlorothiophen-2-yl)-2-oxo-N-propan-2-ylacetamide

C9H10ClNO2S — CID 82115910

IUPAC2-(5-chlorothiophen-2-yl)-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H10ClNO2S/c1-5(2)11-9(13)8(12)6-3-4-7(10)14-6/h3-5H,1-2H3,(H,11,13)
InChIKeyZKLPVOCBZGBQBC-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.11
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-2-oxo-N-propan-2-ylacetamide

2-(5-chlorothiophen-2-yl)-2-oxo-N-propan-2-ylacetamide (PubChem CID 82115910) has the molecular formula C9H10ClNO2S and a molecular weight of 231.70 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-2-oxo-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-2-oxo-N-propan-2-ylacetamide
PubChem CID82115910
Molecular FormulaC9H10ClNO2S
Molecular Weight231.70 g/mol
Exact Mass231.01
IUPAC Name2-(5-chlorothiophen-2-yl)-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H10ClNO2S/c1-5(2)11-9(13)8(12)6-3-4-7(10)14-6/h3-5H,1-2H3,(H,11,13)
InChIKeyZKLPVOCBZGBQBC-UHFFFAOYSA-N
XLogP2.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one
CID 18409467
2-(5-chlorothiophen-2-yl)-N-(2-methylphenyl)-2-oxoacetamide
CID 94288949
5-chloro-N-[(2R)-1-hydroxypropan-2-yl]thiophene-2-carboxamide
CID 79030843
N-(1-aminopropan-2-yl)-5-chlorothiophene-2-carboxamide
CID 63733398
5-chloro-N-[(1S)-1-cyclohexylethyl]thiophene-2-carboxamide
CID 159200384
5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide
CID 9330177
N-benzyl-2-(5-chlorothiophen-2-yl)-2-oxoacetamide
CID 94288947
5-chloro-N-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]thiophene-2-carboxamide
CID 3490004
5-chloro-N-propan-2-yloxythiophene-2-carboxamide
CID 131162409
5-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-carboxamide
CID 63941006
N-(5-bromopentan-2-yl)-5-chlorothiophene-2-carboxamide
CID 114316562
4-[(5-chlorothiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 81064597

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-2-oxo-N-propan-2-ylacetamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-2-oxo-N-propan-2-ylacetamide (CID 82115910) is 2-(5-chlorothiophen-2-yl)-2-oxo-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-2-oxo-N-propan-2-ylacetamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-2-oxo-N-propan-2-ylacetamide is CC(C)NC(=O)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-2-oxo-N-propan-2-ylacetamide?
The InChIKey is ZKLPVOCBZGBQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2S/c1-5(2)11-9(13)8(12)6-3-4-7(10)14-6/h3-5H,1-2H3,(H,11,13).
What are the key properties of 2-(5-chlorothiophen-2-yl)-2-oxo-N-propan-2-ylacetamide?
2-(5-chlorothiophen-2-yl)-2-oxo-N-propan-2-ylacetamide has a molecular weight of 231.70 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-2-oxo-N-propan-2-ylacetamide is sourced from PubChem (CID 82115910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).