3-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide

C11H14N2O2S — CID 69352287

IUPAC3-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide
SMILESCNC(=O)c1c(C(N)=O)sc2c1CCCC2
InChIInChI=1S/C11H14N2O2S/c1-13-11(15)8-6-4-2-3-5-7(6)16-9(8)10(12)14/h2-5H2,1H3,(H2,12,14)(H,13,15)
InChIKeySPIAGWXOGVBIJL-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.09
Rot. Bonds2

About 3-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide

3-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide (PubChem CID 69352287) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide.

Molecular Properties

Compound Name3-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide
PubChem CID69352287
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name3-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide
SMILESCNC(=O)c1c(C(N)=O)sc2c1CCCC2
InChIInChI=1S/C11H14N2O2S/c1-13-11(15)8-6-4-2-3-5-7(6)16-9(8)10(12)14/h2-5H2,1H3,(H2,12,14)(H,13,15)
InChIKeySPIAGWXOGVBIJL-UHFFFAOYSA-N
XLogP1.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-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

ethyl 2-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 22034334
4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide;2,2,2-trifluoroacetic acid
CID 160806481
3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 142146921
N-methyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 68909831
2-(N-[3-(aminomethyl)benzoyl]anilino)acetic acid;3-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide;2,2,2-trifluoroacetic acid
CID 69352286
ethyl 2-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;2,2,2-trifluoroacetic acid
CID 159189776
2-(butanoylamino)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 7474783
2-(cyclopropanecarbonylamino)-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 7475021
2-(methanesulfonamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 35274190
2-N-thiophen-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide
CID 11483606
3-(dimethylaminodiazenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 91100469
methyl N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamate
CID 2932152

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide?
The IUPAC name of 3-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide (CID 69352287) is 3-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide.
What is the SMILES notation for 3-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide?
The canonical SMILES for 3-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide is CNC(=O)c1c(C(N)=O)sc2c1CCCC2.
What is the InChIKey of 3-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide?
The InChIKey is SPIAGWXOGVBIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-13-11(15)8-6-4-2-3-5-7(6)16-9(8)10(12)14/h2-5H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of 3-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide?
3-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide has a molecular weight of 238.31 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide is sourced from PubChem (CID 69352287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).