N-(3-benzoyl-5-methylthiophen-2-yl)-2-chloroacetamide

C14H12ClNO2S — CID 859620

IUPACN-(3-benzoyl-5-methylthiophen-2-yl)-2-chloroacetamide
SMILESCc1cc(C(=O)c2ccccc2)c(NC(=O)CCl)s1
InChIInChI=1S/C14H12ClNO2S/c1-9-7-11(14(19-9)16-12(17)8-15)13(18)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,16,17)
InChIKeyRCSCXOWGVOJIIW-UHFFFAOYSA-N
MW293.78 g/mol
LogP3.46
Rot. Bonds4

About N-(3-benzoyl-5-methylthiophen-2-yl)-2-chloroacetamide

N-(3-benzoyl-5-methylthiophen-2-yl)-2-chloroacetamide (PubChem CID 859620) has the molecular formula C14H12ClNO2S and a molecular weight of 293.78 g/mol. Its IUPAC name is N-(3-benzoyl-5-methylthiophen-2-yl)-2-chloroacetamide.

Molecular Properties

Compound NameN-(3-benzoyl-5-methylthiophen-2-yl)-2-chloroacetamide
PubChem CID859620
Molecular FormulaC14H12ClNO2S
Molecular Weight293.78 g/mol
Exact Mass293.03
IUPAC NameN-(3-benzoyl-5-methylthiophen-2-yl)-2-chloroacetamide
SMILESCc1cc(C(=O)c2ccccc2)c(NC(=O)CCl)s1
InChIInChI=1S/C14H12ClNO2S/c1-9-7-11(14(19-9)16-12(17)8-15)13(18)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,16,17)
InChIKeyRCSCXOWGVOJIIW-UHFFFAOYSA-N
XLogP3.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tpca-1
CID 9903786
5-Phenyl-2-Ureidothiophene-3-Carboxamide
CID 6419765
N-(3-benzoylthien-2-yl)-2-chloroacetamide
CID 819037
N-(5-Methyl-2-thienyl)benzamide
CID 570111
N-(4,5-dimethylthiophen-2-yl)benzamide
CID 570162
N-(3-Benzoyl-4,5-dimethyl-thiophen-2-yl)-2-chloro-acetamide
CID 615593
N-(3-Benzoyl-5-methyl-thiophen-2-yl)-2-diethylamino-acetamide
CID 857635
4-Ethyl-5-methyl-2-{[(2-phenylcyclopropyl)carbonyl]amino}-3-thiophenecarboxamide
CID 2933190
2-(Acetylamino)-4-(4-ethylphenyl)-5-methyl-3-thiophenecarboxamide
CID 887901
1-(3-(Methylcarbamoyl)-5-phenylthiophen-2-yl)urea
CID 9878679
2-(Carbamoylamino)-5-(4-ethylphenyl)thiophene-3-carboxamide
CID 9879057
5-Benzyl-4-methyl-2-(propanoylamino)thiophene-3-carboxamide
CID 675873

Frequently Asked Questions

What is the IUPAC name of N-(3-benzoyl-5-methylthiophen-2-yl)-2-chloroacetamide?
The IUPAC name of N-(3-benzoyl-5-methylthiophen-2-yl)-2-chloroacetamide (CID 859620) is N-(3-benzoyl-5-methylthiophen-2-yl)-2-chloroacetamide.
What is the SMILES notation for N-(3-benzoyl-5-methylthiophen-2-yl)-2-chloroacetamide?
The canonical SMILES for N-(3-benzoyl-5-methylthiophen-2-yl)-2-chloroacetamide is Cc1cc(C(=O)c2ccccc2)c(NC(=O)CCl)s1.
What is the InChIKey of N-(3-benzoyl-5-methylthiophen-2-yl)-2-chloroacetamide?
The InChIKey is RCSCXOWGVOJIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2S/c1-9-7-11(14(19-9)16-12(17)8-15)13(18)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of N-(3-benzoyl-5-methylthiophen-2-yl)-2-chloroacetamide?
N-(3-benzoyl-5-methylthiophen-2-yl)-2-chloroacetamide has a molecular weight of 293.78 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzoyl-5-methylthiophen-2-yl)-2-chloroacetamide is sourced from PubChem (CID 859620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).