5-acetamido-N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide

C14H13ClN2O2S — CID 24606547

IUPAC5-acetamido-N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2cc(Cl)ccc2C)s1
InChIInChI=1S/C14H13ClN2O2S/c1-8-3-4-10(15)7-11(8)17-14(19)12-5-6-13(20-12)16-9(2)18/h3-7H,1-2H3,(H,16,18)(H,17,19)
InChIKeyPCZJLJFTZIXWKJ-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.92
Rot. Bonds3

About 5-acetamido-N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide

5-acetamido-N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide (PubChem CID 24606547) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is 5-acetamido-N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide
PubChem CID24606547
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC Name5-acetamido-N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2cc(Cl)ccc2C)s1
InChIInChI=1S/C14H13ClN2O2S/c1-8-3-4-10(15)7-11(8)17-14(19)12-5-6-13(20-12)16-9(2)18/h3-7H,1-2H3,(H,16,18)(H,17,19)
InChIKeyPCZJLJFTZIXWKJ-UHFFFAOYSA-N
XLogP3.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 795521
5-acetamido-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
CID 24608441
5-chloro-N-(4-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 17432904
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 29411153
5-[(4-chloro-2-methylphenyl)carbamoyl]thiophene-2-carboxylic acid
CID 43414411
5-(cyclopropanecarbonylamino)-N-(2,5-dichlorophenyl)thiophene-2-carboxamide
CID 17420515
5-chloro-N-(5-cyano-2-methylphenyl)thiophene-2-carboxamide
CID 55037313
N-(5-chloro-2-methylphenyl)-3,5-dimethylbenzamide
CID 918666
N-(5-chloro-2-methylphenyl)-2,4,6-trimethylbenzamide
CID 675121
[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 18287735
2-N,5-N-bis(2,4-dichlorophenyl)thiophene-2,5-dicarboxamide
CID 2329395
4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
CID 43386540

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-acetamido-N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide (CID 24606547) is 5-acetamido-N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-acetamido-N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide is CC(=O)Nc1ccc(C(=O)Nc2cc(Cl)ccc2C)s1.
What is the InChIKey of 5-acetamido-N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide?
The InChIKey is PCZJLJFTZIXWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c1-8-3-4-10(15)7-11(8)17-14(19)12-5-6-13(20-12)16-9(2)18/h3-7H,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 5-acetamido-N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide?
5-acetamido-N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide has a molecular weight of 308.79 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 24606547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).