5-acetyl-N-[(2,4-dimethylphenyl)methyl]-N-methylthiophene-2-carboxamide

C17H19NO2S — CID 18117131

IUPAC5-acetyl-N-[(2,4-dimethylphenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)N(C)Cc2ccc(C)cc2C)s1
InChIInChI=1S/C17H19NO2S/c1-11-5-6-14(12(2)9-11)10-18(4)17(20)16-8-7-15(21-16)13(3)19/h5-9H,10H2,1-4H3
InChIKeyXMBKIERHHUYPMR-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.84
Rot. Bonds4

About 5-acetyl-N-[(2,4-dimethylphenyl)methyl]-N-methylthiophene-2-carboxamide

5-acetyl-N-[(2,4-dimethylphenyl)methyl]-N-methylthiophene-2-carboxamide (PubChem CID 18117131) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 5-acetyl-N-[(2,4-dimethylphenyl)methyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[(2,4-dimethylphenyl)methyl]-N-methylthiophene-2-carboxamide
PubChem CID18117131
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name5-acetyl-N-[(2,4-dimethylphenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)N(C)Cc2ccc(C)cc2C)s1
InChIInChI=1S/C17H19NO2S/c1-11-5-6-14(12(2)9-11)10-18(4)17(20)16-8-7-15(21-16)13(3)19/h5-9H,10H2,1-4H3
InChIKeyXMBKIERHHUYPMR-UHFFFAOYSA-N
XLogP3.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80625597
N-[(2,4-dimethylphenyl)methyl]-2-fluoro-N,4-dimethylbenzamide
CID 79763940
5-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-N-methylthiophene-2-carboxamide
CID 18116239
5-acetyl-N-methyl-N-[(2-nitrophenyl)methyl]thiophene-2-carboxamide
CID 46399191
N-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139140
3-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
CID 64685871
2,4-dibromo-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
CID 107951738
4-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 55161300
5-acetyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 18112110
2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpropanamide
CID 43346987
N-[(2,4-dimethylphenyl)methyl]-N-methylbut-2-enamide
CID 78911940
N,2,4-trimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028537

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[(2,4-dimethylphenyl)methyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[(2,4-dimethylphenyl)methyl]-N-methylthiophene-2-carboxamide (CID 18117131) is 5-acetyl-N-[(2,4-dimethylphenyl)methyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[(2,4-dimethylphenyl)methyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[(2,4-dimethylphenyl)methyl]-N-methylthiophene-2-carboxamide is CC(=O)c1ccc(C(=O)N(C)Cc2ccc(C)cc2C)s1.
What is the InChIKey of 5-acetyl-N-[(2,4-dimethylphenyl)methyl]-N-methylthiophene-2-carboxamide?
The InChIKey is XMBKIERHHUYPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-11-5-6-14(12(2)9-11)10-18(4)17(20)16-8-7-15(21-16)13(3)19/h5-9H,10H2,1-4H3.
What are the key properties of 5-acetyl-N-[(2,4-dimethylphenyl)methyl]-N-methylthiophene-2-carboxamide?
5-acetyl-N-[(2,4-dimethylphenyl)methyl]-N-methylthiophene-2-carboxamide has a molecular weight of 301.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[(2,4-dimethylphenyl)methyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 18117131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).