N-(3-chloro-2-methylphenyl)-2-oxo-2-thiophen-2-ylacetamide

C13H10ClNO2S — CID 94288943

IUPACN-(3-chloro-2-methylphenyl)-2-oxo-2-thiophen-2-ylacetamide
SMILESCc1c(Cl)cccc1NC(=O)C(=O)c1cccs1
InChIInChI=1S/C13H10ClNO2S/c1-8-9(14)4-2-5-10(8)15-13(17)12(16)11-6-3-7-18-11/h2-7H,1H3,(H,15,17)
InChIKeyOFYSZBACUADDLI-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.53
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-2-oxo-2-thiophen-2-ylacetamide

N-(3-chloro-2-methylphenyl)-2-oxo-2-thiophen-2-ylacetamide (PubChem CID 94288943) has the molecular formula C13H10ClNO2S and a molecular weight of 279.75 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-oxo-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-oxo-2-thiophen-2-ylacetamide
PubChem CID94288943
Molecular FormulaC13H10ClNO2S
Molecular Weight279.75 g/mol
Exact Mass279.01
IUPAC NameN-(3-chloro-2-methylphenyl)-2-oxo-2-thiophen-2-ylacetamide
SMILESCc1c(Cl)cccc1NC(=O)C(=O)c1cccs1
InChIInChI=1S/C13H10ClNO2S/c1-8-9(14)4-2-5-10(8)15-13(17)12(16)11-6-3-7-18-11/h2-7H,1H3,(H,15,17)
InChIKeyOFYSZBACUADDLI-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

N-[(3-chloro-2-methylphenyl)carbamothioyl]thiophene-2-carboxamide
CID 739014
1-(3-chloro-2-methylphenyl)-3-thiophen-2-ylurea
CID 20886019
(E)-N-(3-chloro-2-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 896718
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
N-(2-methoxyphenyl)-2-oxo-2-thiophen-2-ylacetamide
CID 82121621
2-amino-N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylacetamide
CID 115285851
N-[2-(2,3-dichloroanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 46756487
N-(3-chloro-2-methylphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515407
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate
CID 24519809
N-(2-chloro-6-methylphenyl)thiophene-2-carboxamide
CID 66254505
N-(3-chloro-2-methylphenyl)-3-hydroxy-2-pyridin-1-ium-1-yl-3-thiophen-2-ylprop-2-enethioamide
CID 135849479

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-oxo-2-thiophen-2-ylacetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-oxo-2-thiophen-2-ylacetamide (CID 94288943) is N-(3-chloro-2-methylphenyl)-2-oxo-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-oxo-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-oxo-2-thiophen-2-ylacetamide is Cc1c(Cl)cccc1NC(=O)C(=O)c1cccs1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-oxo-2-thiophen-2-ylacetamide?
The InChIKey is OFYSZBACUADDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2S/c1-8-9(14)4-2-5-10(8)15-13(17)12(16)11-6-3-7-18-11/h2-7H,1H3,(H,15,17).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-oxo-2-thiophen-2-ylacetamide?
N-(3-chloro-2-methylphenyl)-2-oxo-2-thiophen-2-ylacetamide 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 N-(3-chloro-2-methylphenyl)-2-oxo-2-thiophen-2-ylacetamide is sourced from PubChem (CID 94288943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).