2-(2,3-dimethylanilino)-1-thiophen-2-ylethanone

C14H15NOS — CID 23738755

IUPAC2-(2,3-dimethylanilino)-1-thiophen-2-ylethanone
SMILESCc1cccc(NCC(=O)c2cccs2)c1C
InChIInChI=1S/C14H15NOS/c1-10-5-3-6-12(11(10)2)15-9-13(16)14-7-4-8-17-14/h3-8,15H,9H2,1-2H3
InChIKeyMIBALMJJDLMCDW-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.66
Rot. Bonds4

About 2-(2,3-dimethylanilino)-1-thiophen-2-ylethanone

2-(2,3-dimethylanilino)-1-thiophen-2-ylethanone (PubChem CID 23738755) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-(2,3-dimethylanilino)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(2,3-dimethylanilino)-1-thiophen-2-ylethanone
PubChem CID23738755
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name2-(2,3-dimethylanilino)-1-thiophen-2-ylethanone
SMILESCc1cccc(NCC(=O)c2cccs2)c1C
InChIInChI=1S/C14H15NOS/c1-10-5-3-6-12(11(10)2)15-9-13(16)14-7-4-8-17-14/h3-8,15H,9H2,1-2H3
InChIKeyMIBALMJJDLMCDW-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,3-dimethylanilino)-1-thiophen-2-ylethanone 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

3-(2,3-dimethylanilino)-1-thiophen-2-ylpropan-1-one
CID 4187133
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7891014
3-(2,6-dimethylanilino)-1-thiophen-2-ylpropan-1-one
CID 94272976
2-(2,3-dimethylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 51202795
2-(2,3-dimethylanilino)-1-(2,5-dimethylphenyl)ethanone
CID 82123131
2-(2,3-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 60683498
1-thiophen-2-ylpropan-1-one
CID 26179
(Z)-N-(2,3-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 2163432
3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)benzamide
CID 82121213
N-(2,3-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 868674
N-butan-2-yl-2-(2,3-dimethylanilino)acetamide
CID 43180171
N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(2,3-dimethylphenyl)butanediamide
CID 1139091

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylanilino)-1-thiophen-2-ylethanone?
The IUPAC name of 2-(2,3-dimethylanilino)-1-thiophen-2-ylethanone (CID 23738755) is 2-(2,3-dimethylanilino)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(2,3-dimethylanilino)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(2,3-dimethylanilino)-1-thiophen-2-ylethanone is Cc1cccc(NCC(=O)c2cccs2)c1C.
What is the InChIKey of 2-(2,3-dimethylanilino)-1-thiophen-2-ylethanone?
The InChIKey is MIBALMJJDLMCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-10-5-3-6-12(11(10)2)15-9-13(16)14-7-4-8-17-14/h3-8,15H,9H2,1-2H3.
What are the key properties of 2-(2,3-dimethylanilino)-1-thiophen-2-ylethanone?
2-(2,3-dimethylanilino)-1-thiophen-2-ylethanone has a molecular weight of 245.35 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylanilino)-1-thiophen-2-ylethanone is sourced from PubChem (CID 23738755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).