2-acetamido-4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide

C16H18N2O2S — CID 23739793

IUPAC2-acetamido-4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide
SMILESCC(=O)Nc1sc(C)c(C)c1C(=O)Nc1ccccc1C
InChIInChI=1S/C16H18N2O2S/c1-9-7-5-6-8-13(9)18-15(20)14-10(2)11(3)21-16(14)17-12(4)19/h5-8H,1-4H3,(H,17,19)(H,18,20)
InChIKeyQJPHDIVODMUMCZ-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.88
Rot. Bonds3

About 2-acetamido-4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide

2-acetamido-4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide (PubChem CID 23739793) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-acetamido-4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-acetamido-4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide
PubChem CID23739793
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-acetamido-4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide
SMILESCC(=O)Nc1sc(C)c(C)c1C(=O)Nc1ccccc1C
InChIInChI=1S/C16H18N2O2S/c1-9-7-5-6-8-13(9)18-15(20)14-10(2)11(3)21-16(14)17-12(4)19/h5-8H,1-4H3,(H,17,19)(H,18,20)
InChIKeyQJPHDIVODMUMCZ-UHFFFAOYSA-N
XLogP3.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-6-methyl-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 4027172
2,6-dihydroxy-N-(2-methylphenyl)benzamide
CID 113347043
N-[4,5-dimethyl-3-(4-phenylbenzoyl)thiophen-2-yl]acetamide
CID 10970141
4,5-dimethyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 950144
4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide
CID 84554418
N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]benzamide
CID 571260
[2-(2-chloroanilino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 2339854
[2-(2-acetylanilino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 2483358
2,5-dimethyl-N-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 110465519
4,5-dimethyl-2-[(4-methylnaphthalene-1-carbonyl)amino]thiophene-3-carboxylic acid
CID 175140929
2-[(2-iodo-3-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 56502350
5-amino-3-methyl-2-N-(2-methylphenyl)-4-N-phenylthiophene-2,4-dicarboxamide
CID 162787157

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide?
The IUPAC name of 2-acetamido-4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide (CID 23739793) is 2-acetamido-4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide.
What is the SMILES notation for 2-acetamido-4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide?
The canonical SMILES for 2-acetamido-4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide is CC(=O)Nc1sc(C)c(C)c1C(=O)Nc1ccccc1C.
What is the InChIKey of 2-acetamido-4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide?
The InChIKey is QJPHDIVODMUMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-9-7-5-6-8-13(9)18-15(20)14-10(2)11(3)21-16(14)17-12(4)19/h5-8H,1-4H3,(H,17,19)(H,18,20).
What are the key properties of 2-acetamido-4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide?
2-acetamido-4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 23739793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).