4-[(4-methoxyphenyl)sulfamoyl]-N-phenylthiophene-2-carboxamide

C18H16N2O4S2 — CID 1079045

IUPAC4-[(4-methoxyphenyl)sulfamoyl]-N-phenylthiophene-2-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2csc(C(=O)Nc3ccccc3)c2)cc1
InChIInChI=1S/C18H16N2O4S2/c1-24-15-9-7-14(8-10-15)20-26(22,23)16-11-17(25-12-16)18(21)19-13-5-3-2-4-6-13/h2-12,20H,1H3,(H,19,21)
InChIKeyUDQSJMIGSAKCQB-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.81
Rot. Bonds6

About 4-[(4-methoxyphenyl)sulfamoyl]-N-phenylthiophene-2-carboxamide

4-[(4-methoxyphenyl)sulfamoyl]-N-phenylthiophene-2-carboxamide (PubChem CID 1079045) has the molecular formula C18H16N2O4S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)sulfamoyl]-N-phenylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)sulfamoyl]-N-phenylthiophene-2-carboxamide
PubChem CID1079045
Molecular FormulaC18H16N2O4S2
Molecular Weight388.47 g/mol
Exact Mass388.06
IUPAC Name4-[(4-methoxyphenyl)sulfamoyl]-N-phenylthiophene-2-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2csc(C(=O)Nc3ccccc3)c2)cc1
InChIInChI=1S/C18H16N2O4S2/c1-24-15-9-7-14(8-10-15)20-26(22,23)16-11-17(25-12-16)18(21)19-13-5-3-2-4-6-13/h2-12,20H,1H3,(H,19,21)
InChIKeyUDQSJMIGSAKCQB-UHFFFAOYSA-N
XLogP3.81
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)sulfamoyl]-N-phenylthiophene-2-carboxamide?
The IUPAC name of 4-[(4-methoxyphenyl)sulfamoyl]-N-phenylthiophene-2-carboxamide (CID 1079045) is 4-[(4-methoxyphenyl)sulfamoyl]-N-phenylthiophene-2-carboxamide.
What is the SMILES notation for 4-[(4-methoxyphenyl)sulfamoyl]-N-phenylthiophene-2-carboxamide?
The canonical SMILES for 4-[(4-methoxyphenyl)sulfamoyl]-N-phenylthiophene-2-carboxamide is COc1ccc(NS(=O)(=O)c2csc(C(=O)Nc3ccccc3)c2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)sulfamoyl]-N-phenylthiophene-2-carboxamide?
The InChIKey is UDQSJMIGSAKCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S2/c1-24-15-9-7-14(8-10-15)20-26(22,23)16-11-17(25-12-16)18(21)19-13-5-3-2-4-6-13/h2-12,20H,1H3,(H,19,21).
What are the key properties of 4-[(4-methoxyphenyl)sulfamoyl]-N-phenylthiophene-2-carboxamide?
4-[(4-methoxyphenyl)sulfamoyl]-N-phenylthiophene-2-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)sulfamoyl]-N-phenylthiophene-2-carboxamide is sourced from PubChem (CID 1079045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).