N-(4-acetamidophenyl)-4-methylthiophene-2-carboxamide

C14H14N2O2S — CID 110861467

IUPACN-(4-acetamidophenyl)-4-methylthiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(C)cs2)cc1
InChIInChI=1S/C14H14N2O2S/c1-9-7-13(19-8-9)14(18)16-12-5-3-11(4-6-12)15-10(2)17/h3-8H,1-2H3,(H,15,17)(H,16,18)
InChIKeyIJGGQQCMMZAWDU-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.27
Rot. Bonds3

About N-(4-acetamidophenyl)-4-methylthiophene-2-carboxamide

N-(4-acetamidophenyl)-4-methylthiophene-2-carboxamide (PubChem CID 110861467) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4-methylthiophene-2-carboxamide
PubChem CID110861467
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC NameN-(4-acetamidophenyl)-4-methylthiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(C)cs2)cc1
InChIInChI=1S/C14H14N2O2S/c1-9-7-13(19-8-9)14(18)16-12-5-3-11(4-6-12)15-10(2)17/h3-8H,1-2H3,(H,15,17)(H,16,18)
InChIKeyIJGGQQCMMZAWDU-UHFFFAOYSA-N
XLogP3.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(dimethylamino)phenyl]-4-methylthiophene-2-carboxamide
CID 110861965
2-hydroxy-5-[(4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 138042482
N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483514
N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-methylthiophene-2-carboxamide
CID 71809641
N-(3-acetamidophenyl)-4-bromothiophene-2-carboxamide
CID 17173176
N-(4-methylphenyl)acetamide
CID 7684
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 110865517
4-methyl-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 126756514
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
4-methyl-N-[4-[5-(pyrrolidine-1-carbonyl)tetrazol-2-yl]phenyl]thiophene-2-carboxamide
CID 71792316
(4-methylthiophene-2-carbonyl) 4-methylthiophene-2-carboperoxoate
CID 24974935
4-chloro-N-[4-(dimethylamino)phenyl]thiophene-2-carboxamide
CID 110861967

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-4-methylthiophene-2-carboxamide (CID 110861467) is N-(4-acetamidophenyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-4-methylthiophene-2-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cc(C)cs2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-4-methylthiophene-2-carboxamide?
The InChIKey is IJGGQQCMMZAWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-9-7-13(19-8-9)14(18)16-12-5-3-11(4-6-12)15-10(2)17/h3-8H,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-(4-acetamidophenyl)-4-methylthiophene-2-carboxamide?
N-(4-acetamidophenyl)-4-methylthiophene-2-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 110861467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).