N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(4-methylphenyl)thiophene-2-carboxamide

C23H24N2O2S — CID 33050240

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C23H24N2O2S/c1-15-8-10-18(11-9-15)19-12-13-28-22(19)23(27)25(4)14-20(26)24-21-16(2)6-5-7-17(21)3/h5-13H,14H2,1-4H3,(H,24,26)
InChIKeyKPNPJOROTXFKGE-UHFFFAOYSA-N
MW392.52 g/mol
LogP5.05
Rot. Bonds5

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(4-methylphenyl)thiophene-2-carboxamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(4-methylphenyl)thiophene-2-carboxamide (PubChem CID 33050240) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(4-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(4-methylphenyl)thiophene-2-carboxamide
PubChem CID33050240
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C23H24N2O2S/c1-15-8-10-18(11-9-15)19-12-13-28-22(19)23(27)25(4)14-20(26)24-21-16(2)6-5-7-17(21)3/h5-13H,14H2,1-4H3,(H,24,26)
InChIKeyKPNPJOROTXFKGE-UHFFFAOYSA-N
XLogP5.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(4-methylphenyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide
CID 78808757
N-(2,6-dimethylphenyl)-2-[methyl-[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 9437519
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-phenylthiophene-2-carboxamide
CID 112802848
2-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8500775
2-(2-aminoethyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 120617526
3-(dimethylamino)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 9431379
methyl 3-[[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]thiophene-2-carboxylate
CID 38344560
3,6-dichloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 27788256
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9089002
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 8500886
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide
CID 31931546
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 113161843

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(4-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(4-methylphenyl)thiophene-2-carboxamide (CID 33050240) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(4-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(4-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(4-methylphenyl)thiophene-2-carboxamide is Cc1ccc(-c2ccsc2C(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(4-methylphenyl)thiophene-2-carboxamide?
The InChIKey is KPNPJOROTXFKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-15-8-10-18(11-9-15)19-12-13-28-22(19)23(27)25(4)14-20(26)24-21-16(2)6-5-7-17(21)3/h5-13H,14H2,1-4H3,(H,24,26).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(4-methylphenyl)thiophene-2-carboxamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(4-methylphenyl)thiophene-2-carboxamide has a molecular weight of 392.52 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(4-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 33050240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).