2-(5-chlorothiophen-2-yl)-N-(2-methylphenyl)-2-oxoacetamide

C13H10ClNO2S — CID 94288949

IUPAC2-(5-chlorothiophen-2-yl)-N-(2-methylphenyl)-2-oxoacetamide
SMILESCc1ccccc1NC(=O)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H10ClNO2S/c1-8-4-2-3-5-9(8)15-13(17)12(16)10-6-7-11(14)18-10/h2-7H,1H3,(H,15,17)
InChIKeyGDEGONWOHYUWDW-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.53
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-N-(2-methylphenyl)-2-oxoacetamide

2-(5-chlorothiophen-2-yl)-N-(2-methylphenyl)-2-oxoacetamide (PubChem CID 94288949) has the molecular formula C13H10ClNO2S and a molecular weight of 279.75 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-(2-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-(2-methylphenyl)-2-oxoacetamide
PubChem CID94288949
Molecular FormulaC13H10ClNO2S
Molecular Weight279.75 g/mol
Exact Mass279.01
IUPAC Name2-(5-chlorothiophen-2-yl)-N-(2-methylphenyl)-2-oxoacetamide
SMILESCc1ccccc1NC(=O)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H10ClNO2S/c1-8-4-2-3-5-9(8)15-13(17)12(16)10-6-7-11(14)18-10/h2-7H,1H3,(H,15,17)
InChIKeyGDEGONWOHYUWDW-UHFFFAOYSA-N
XLogP3.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.53
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-(4-chlorophenyl)-N-(2-methylphenyl)-2-oxoacetamide
CID 94282932
[2-(2-methylanilino)-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7238274
1-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-(2-methylphenyl)thiourea
CID 7933526
N-(2-methylphenyl)-2-oxopropanamide
CID 82125210
N-benzyl-2-(5-chlorothiophen-2-yl)-2-oxoacetamide
CID 94288947
4-(5-chlorothiophen-2-yl)-N-(2,3-dimethylphenyl)-4-oxobutanamide
CID 26538534
5-chloro-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 7750910
5-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 47097917
3-methyl-N-(2-methylphenyl)-2-sulfanylbut-2-enamide
CID 170032570
1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-(2-methylphenyl)urea
CID 91631086
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9262048
(2-methylphenyl)urea;phosphane
CID 175888509

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(2-methylphenyl)-2-oxoacetamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(2-methylphenyl)-2-oxoacetamide (CID 94288949) is 2-(5-chlorothiophen-2-yl)-N-(2-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-(2-methylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-(2-methylphenyl)-2-oxoacetamide is Cc1ccccc1NC(=O)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-(2-methylphenyl)-2-oxoacetamide?
The InChIKey is GDEGONWOHYUWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2S/c1-8-4-2-3-5-9(8)15-13(17)12(16)10-6-7-11(14)18-10/h2-7H,1H3,(H,15,17).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-(2-methylphenyl)-2-oxoacetamide?
2-(5-chlorothiophen-2-yl)-N-(2-methylphenyl)-2-oxoacetamide has a molecular weight of 279.75 g/mol, XLogP of 3.53, 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)-N-(2-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 94288949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).