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

C16H18N2O3S2 — CID 1247036

IUPACN-[(4-sulfamoylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2csc3c2CCCC3)cc1
InChIInChI=1S/C16H18N2O3S2/c17-23(20,21)12-7-5-11(6-8-12)9-18-16(19)14-10-22-15-4-2-1-3-13(14)15/h5-8,10H,1-4,9H2,(H,18,19)(H2,17,20,21)
InChIKeyGOENNJVEFGLJET-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.20
Rot. Bonds4

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

N-[(4-sulfamoylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 1247036) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[(4-sulfamoylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(4-sulfamoylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID1247036
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC NameN-[(4-sulfamoylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2csc3c2CCCC3)cc1
InChIInChI=1S/C16H18N2O3S2/c17-23(20,21)12-7-5-11(6-8-12)9-18-16(19)14-10-22-15-4-2-1-3-13(14)15/h5-8,10H,1-4,9H2,(H,18,19)(H2,17,20,21)
InChIKeyGOENNJVEFGLJET-UHFFFAOYSA-N
XLogP2.20
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-sulfamoylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[(4-sulfamoylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 1247036) is N-[(4-sulfamoylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[(4-sulfamoylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[(4-sulfamoylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2csc3c2CCCC3)cc1.
What is the InChIKey of N-[(4-sulfamoylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is GOENNJVEFGLJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c17-23(20,21)12-7-5-11(6-8-12)9-18-16(19)14-10-22-15-4-2-1-3-13(14)15/h5-8,10H,1-4,9H2,(H,18,19)(H2,17,20,21).
What are the key properties of N-[(4-sulfamoylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-[(4-sulfamoylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-sulfamoylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 1247036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).