3-phenyl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-carboxamide

C18H16N2O3S2 — CID 24687174

IUPAC3-phenyl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2sccc2-c2ccccc2)cc1
InChIInChI=1S/C18H16N2O3S2/c19-25(22,23)15-8-6-13(7-9-15)12-20-18(21)17-16(10-11-24-17)14-4-2-1-3-5-14/h1-11H,12H2,(H,20,21)(H2,19,22,23)
InChIKeyVRFWIGYVRYOTEG-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.99
Rot. Bonds5

About 3-phenyl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-carboxamide

3-phenyl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-carboxamide (PubChem CID 24687174) has the molecular formula C18H16N2O3S2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-phenyl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-carboxamide
PubChem CID24687174
Molecular FormulaC18H16N2O3S2
Molecular Weight372.47 g/mol
Exact Mass372.06
IUPAC Name3-phenyl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2sccc2-c2ccccc2)cc1
InChIInChI=1S/C18H16N2O3S2/c19-25(22,23)15-8-6-13(7-9-15)12-20-18(21)17-16(10-11-24-17)14-4-2-1-3-5-14/h1-11H,12H2,(H,20,21)(H2,19,22,23)
InChIKeyVRFWIGYVRYOTEG-UHFFFAOYSA-N
XLogP2.99
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 3-phenyl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-carboxamide (CID 24687174) is 3-phenyl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-phenyl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-phenyl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2sccc2-c2ccccc2)cc1.
What is the InChIKey of 3-phenyl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is VRFWIGYVRYOTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S2/c19-25(22,23)15-8-6-13(7-9-15)12-20-18(21)17-16(10-11-24-17)14-4-2-1-3-5-14/h1-11H,12H2,(H,20,21)(H2,19,22,23).
What are the key properties of 3-phenyl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-carboxamide?
3-phenyl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 24687174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).