N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C19H24N2O4S2 — CID 42908222

IUPACN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1csc2c1CCC(C)C2
InChIInChI=1S/C19H24N2O4S2/c1-12-5-7-14-15(11-26-18(14)9-12)19(22)20-16-10-13(6-8-17(16)25-4)27(23,24)21(2)3/h6,8,10-12H,5,7,9H2,1-4H3,(H,20,22)
InChIKeyYBRCNDBNKZNGAD-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.38
Rot. Bonds5

About N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 42908222) has the molecular formula C19H24N2O4S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID42908222
Molecular FormulaC19H24N2O4S2
Molecular Weight408.55 g/mol
Exact Mass408.12
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1csc2c1CCC(C)C2
InChIInChI=1S/C19H24N2O4S2/c1-12-5-7-14-15(11-26-18(14)9-12)19(22)20-16-10-13(6-8-17(16)25-4)27(23,24)21(2)3/h6,8,10-12H,5,7,9H2,1-4H3,(H,20,22)
InChIKeyYBRCNDBNKZNGAD-UHFFFAOYSA-N
XLogP3.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide with MolForge

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Related Compounds

N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 78796726
(5R)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 8838693
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methoxy-5-methylbenzamide
CID 9047184
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 112765127
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,4-dimethoxybenzamide
CID 7921753
3-(dimethylsulfamoyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 55341476
4-cyclohexyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 40695566
(6S)-N-(2-ethoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 946512
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 5138002
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluorobenzamide
CID 7750677
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-phenylbenzamide
CID 8838647
N-(3-cyclopentylsulfonylphenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 55612855

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 42908222) is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1csc2c1CCC(C)C2.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is YBRCNDBNKZNGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S2/c1-12-5-7-14-15(11-26-18(14)9-12)19(22)20-16-10-13(6-8-17(16)25-4)27(23,24)21(2)3/h6,8,10-12H,5,7,9H2,1-4H3,(H,20,22).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 42908222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).