4,5,6,7-tetramethyl-2-benzothiophene-1,3-dicarboxamide

C14H16N2O2S — CID 134562755

IUPAC4,5,6,7-tetramethyl-2-benzothiophene-1,3-dicarboxamide
SMILESCc1c(C)c(C)c2c(C(N)=O)sc(C(N)=O)c2c1C
InChIInChI=1S/C14H16N2O2S/c1-5-6(2)8(4)10-9(7(5)3)11(13(15)17)19-12(10)14(16)18/h1-4H3,(H2,15,17)(H2,16,18)
InChIKeyHFVBOLXHKSKUNN-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.33
Rot. Bonds2

About 4,5,6,7-tetramethyl-2-benzothiophene-1,3-dicarboxamide

4,5,6,7-tetramethyl-2-benzothiophene-1,3-dicarboxamide (PubChem CID 134562755) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4,5,6,7-tetramethyl-2-benzothiophene-1,3-dicarboxamide.

Molecular Properties

Compound Name4,5,6,7-tetramethyl-2-benzothiophene-1,3-dicarboxamide
PubChem CID134562755
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name4,5,6,7-tetramethyl-2-benzothiophene-1,3-dicarboxamide
SMILESCc1c(C)c(C)c2c(C(N)=O)sc(C(N)=O)c2c1C
InChIInChI=1S/C14H16N2O2S/c1-5-6(2)8(4)10-9(7(5)3)11(13(15)17)19-12(10)14(16)18/h1-4H3,(H2,15,17)(H2,16,18)
InChIKeyHFVBOLXHKSKUNN-UHFFFAOYSA-N
XLogP2.33
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4,5,6,7-tetramethyl-2-benzothiophene-1,3-dicarboxamide 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

2-amino-5-carbamoyl-4-methylthiophene-3-carboxylic acid
CID 82397516
ethyl 3-amino-5-carbamoyl-4-methylthiophene-2-carboxylate
CID 602876
3,4-dimethylthiophene-2-carboxamide
CID 140551630
2,4-dimethyl-1,3-thiazole-5-carboxamide;hydrochloride
CID 69278427
5-amino-3-methyl-4-(2-methylpropanoyl)thiophene-2-carboxamide
CID 65354992
5-acetyl-2-amino-4-methylthiophene-3-carboxamide
CID 1271564
4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 68738197
3-methylthieno[2,3-c]pyridine-2-carboxamide
CID 141171273
3-methyl-5-sulfamoylthiophene-2-carboxamide
CID 130619284
5-methyl-4-oxo-2-propan-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 28868088
2-(2-aminoethylamino)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 39163580
5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 142673136

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetramethyl-2-benzothiophene-1,3-dicarboxamide?
The IUPAC name of 4,5,6,7-tetramethyl-2-benzothiophene-1,3-dicarboxamide (CID 134562755) is 4,5,6,7-tetramethyl-2-benzothiophene-1,3-dicarboxamide.
What is the SMILES notation for 4,5,6,7-tetramethyl-2-benzothiophene-1,3-dicarboxamide?
The canonical SMILES for 4,5,6,7-tetramethyl-2-benzothiophene-1,3-dicarboxamide is Cc1c(C)c(C)c2c(C(N)=O)sc(C(N)=O)c2c1C.
What is the InChIKey of 4,5,6,7-tetramethyl-2-benzothiophene-1,3-dicarboxamide?
The InChIKey is HFVBOLXHKSKUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-5-6(2)8(4)10-9(7(5)3)11(13(15)17)19-12(10)14(16)18/h1-4H3,(H2,15,17)(H2,16,18).
What are the key properties of 4,5,6,7-tetramethyl-2-benzothiophene-1,3-dicarboxamide?
4,5,6,7-tetramethyl-2-benzothiophene-1,3-dicarboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetramethyl-2-benzothiophene-1,3-dicarboxamide is sourced from PubChem (CID 134562755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).