N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-carboxamide

C18H16N2O3S2 — CID 2162831

IUPACN-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C18H16N2O3S2/c1-13-4-6-15(7-5-13)20-25(22,23)16-10-8-14(9-11-16)19-18(21)17-3-2-12-24-17/h2-12,20H,1H3,(H,19,21)
InChIKeyPVEOWTQKISAPJC-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.11
Rot. Bonds5

About N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-carboxamide

N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 2162831) has the molecular formula C18H16N2O3S2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
PubChem CID2162831
Molecular FormulaC18H16N2O3S2
Molecular Weight372.47 g/mol
Exact Mass372.06
IUPAC NameN-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C18H16N2O3S2/c1-13-4-6-15(7-5-13)20-25(22,23)16-10-8-14(9-11-16)19-18(21)17-3-2-12-24-17/h2-12,20H,1H3,(H,19,21)
InChIKeyPVEOWTQKISAPJC-UHFFFAOYSA-N
XLogP4.11
TPSA75.27 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 ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-carboxamide (CID 2162831) is N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-carboxamide is Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1.
What is the InChIKey of N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is PVEOWTQKISAPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S2/c1-13-4-6-15(7-5-13)20-25(22,23)16-10-8-14(9-11-16)19-18(21)17-3-2-12-24-17/h2-12,20H,1H3,(H,19,21).
What are the key properties of N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-carboxamide?
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 2162831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).