5-acetyl-N-(3-chloro-4-methylphenyl)thiophene-2-carboxamide

C14H12ClNO2S — CID 18089373

IUPAC5-acetyl-N-(3-chloro-4-methylphenyl)thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)Nc2ccc(C)c(Cl)c2)s1
InChIInChI=1S/C14H12ClNO2S/c1-8-3-4-10(7-11(8)15)16-14(18)13-6-5-12(19-13)9(2)17/h3-7H,1-2H3,(H,16,18)
InChIKeyZMNWFQFZBADETM-UHFFFAOYSA-N
MW293.78 g/mol
LogP4.16
Rot. Bonds3

About 5-acetyl-N-(3-chloro-4-methylphenyl)thiophene-2-carboxamide

5-acetyl-N-(3-chloro-4-methylphenyl)thiophene-2-carboxamide (PubChem CID 18089373) has the molecular formula C14H12ClNO2S and a molecular weight of 293.78 g/mol. Its IUPAC name is 5-acetyl-N-(3-chloro-4-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-(3-chloro-4-methylphenyl)thiophene-2-carboxamide
PubChem CID18089373
Molecular FormulaC14H12ClNO2S
Molecular Weight293.78 g/mol
Exact Mass293.03
IUPAC Name5-acetyl-N-(3-chloro-4-methylphenyl)thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)Nc2ccc(C)c(Cl)c2)s1
InChIInChI=1S/C14H12ClNO2S/c1-8-3-4-10(7-11(8)15)16-14(18)13-6-5-12(19-13)9(2)17/h3-7H,1-2H3,(H,16,18)
InChIKeyZMNWFQFZBADETM-UHFFFAOYSA-N
XLogP4.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-acetyl-N-(3,4-dichlorophenyl)thiophene-2-carboxamide
CID 9071635
5-acetyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 18089639
3-[5-[(3-chloro-4-methylphenyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 76907271
4-amino-N-(3-chloro-4-methylphenyl)-5-methylthiophene-2-carboxamide
CID 61091195
N-(3-acetamidophenyl)-5-acetylthiophene-2-carboxamide
CID 18089390
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 37032471
5-acetyl-N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]thiophene-2-carboxamide
CID 58614931
5-acetamido-2-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 885622
N-(3-chloro-4-hydroxyphenyl)-5-methylthiophene-2-carboxamide
CID 63935507
N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602
5-acetyl-N-(4-hydroxy-3-methoxyphenyl)thiophene-2-carboxamide
CID 131938402
N-(3-chloro-4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 1245952

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-(3-chloro-4-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-(3-chloro-4-methylphenyl)thiophene-2-carboxamide (CID 18089373) is 5-acetyl-N-(3-chloro-4-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-(3-chloro-4-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-(3-chloro-4-methylphenyl)thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)Nc2ccc(C)c(Cl)c2)s1.
What is the InChIKey of 5-acetyl-N-(3-chloro-4-methylphenyl)thiophene-2-carboxamide?
The InChIKey is ZMNWFQFZBADETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2S/c1-8-3-4-10(7-11(8)15)16-14(18)13-6-5-12(19-13)9(2)17/h3-7H,1-2H3,(H,16,18).
What are the key properties of 5-acetyl-N-(3-chloro-4-methylphenyl)thiophene-2-carboxamide?
5-acetyl-N-(3-chloro-4-methylphenyl)thiophene-2-carboxamide has a molecular weight of 293.78 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-(3-chloro-4-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 18089373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).