6-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C18H22N2O3S2 — CID 55656473

IUPAC6-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)c2csc3c2CCC(C)C3)c1
InChIInChI=1S/C18H22N2O3S2/c1-12-6-7-15-16(11-24-17(15)8-12)18(21)20-10-13-4-3-5-14(9-13)25(22,23)19-2/h3-5,9,11-12,19H,6-8,10H2,1-2H3,(H,20,21)
InChIKeyWQAVYRINVGGIBP-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.71
Rot. Bonds5

About 6-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

6-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 55656473) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 6-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID55656473
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC Name6-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)c2csc3c2CCC(C)C3)c1
InChIInChI=1S/C18H22N2O3S2/c1-12-6-7-15-16(11-24-17(15)8-12)18(21)20-10-13-4-3-5-14(9-13)25(22,23)19-2/h3-5,9,11-12,19H,6-8,10H2,1-2H3,(H,20,21)
InChIKeyWQAVYRINVGGIBP-UHFFFAOYSA-N
XLogP2.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide with MolForge

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Related Compounds

5-bromo-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-carboxamide
CID 34646544
N-(3-cyclopentylsulfonylphenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 55612855
N-(2-chloroprop-2-enyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 113238614
N-(2-amino-2-methylpropyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride
CID 119629587
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 55332814
(6R)-N-(3-acetylphenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2146391
N-(3-hydroxy-2-methylpropyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 65037426
2-methyl-3-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]propanoic acid
CID 62676927
N-(3-fluorophenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2960348
(2R)-N-[[3-(methylsulfamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 34687941
6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 86836016
3-[(2-methylcyclopropanecarbonyl)amino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
CID 55656434

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of 6-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 55656473) is 6-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for 6-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CNS(=O)(=O)c1cccc(CNC(=O)c2csc3c2CCC(C)C3)c1.
What is the InChIKey of 6-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is WQAVYRINVGGIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-12-6-7-15-16(11-24-17(15)8-12)18(21)20-10-13-4-3-5-14(9-13)25(22,23)19-2/h3-5,9,11-12,19H,6-8,10H2,1-2H3,(H,20,21).
What are the key properties of 6-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
6-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 55656473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).