4-[(3,5-dimethoxyphenyl)sulfamoyl]thiophene-2-carboxamide

C13H14N2O5S2 — CID 20900806

IUPAC4-[(3,5-dimethoxyphenyl)sulfamoyl]thiophene-2-carboxamide
SMILESCOc1cc(NS(=O)(=O)c2csc(C(N)=O)c2)cc(OC)c1
InChIInChI=1S/C13H14N2O5S2/c1-19-9-3-8(4-10(5-9)20-2)15-22(17,18)11-6-12(13(14)16)21-7-11/h3-7,15H,1-2H3,(H2,14,16)
InChIKeyYAXJSTYODLYJIC-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.66
Rot. Bonds6

About 4-[(3,5-dimethoxyphenyl)sulfamoyl]thiophene-2-carboxamide

4-[(3,5-dimethoxyphenyl)sulfamoyl]thiophene-2-carboxamide (PubChem CID 20900806) has the molecular formula C13H14N2O5S2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-[(3,5-dimethoxyphenyl)sulfamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dimethoxyphenyl)sulfamoyl]thiophene-2-carboxamide
PubChem CID20900806
Molecular FormulaC13H14N2O5S2
Molecular Weight342.40 g/mol
Exact Mass342.03
IUPAC Name4-[(3,5-dimethoxyphenyl)sulfamoyl]thiophene-2-carboxamide
SMILESCOc1cc(NS(=O)(=O)c2csc(C(N)=O)c2)cc(OC)c1
InChIInChI=1S/C13H14N2O5S2/c1-19-9-3-8(4-10(5-9)20-2)15-22(17,18)11-6-12(13(14)16)21-7-11/h3-7,15H,1-2H3,(H2,14,16)
InChIKeyYAXJSTYODLYJIC-UHFFFAOYSA-N
XLogP1.66
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethoxyphenyl)sulfamoyl]thiophene-2-carboxamide?
The IUPAC name of 4-[(3,5-dimethoxyphenyl)sulfamoyl]thiophene-2-carboxamide (CID 20900806) is 4-[(3,5-dimethoxyphenyl)sulfamoyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[(3,5-dimethoxyphenyl)sulfamoyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[(3,5-dimethoxyphenyl)sulfamoyl]thiophene-2-carboxamide is COc1cc(NS(=O)(=O)c2csc(C(N)=O)c2)cc(OC)c1.
What is the InChIKey of 4-[(3,5-dimethoxyphenyl)sulfamoyl]thiophene-2-carboxamide?
The InChIKey is YAXJSTYODLYJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5S2/c1-19-9-3-8(4-10(5-9)20-2)15-22(17,18)11-6-12(13(14)16)21-7-11/h3-7,15H,1-2H3,(H2,14,16).
What are the key properties of 4-[(3,5-dimethoxyphenyl)sulfamoyl]thiophene-2-carboxamide?
4-[(3,5-dimethoxyphenyl)sulfamoyl]thiophene-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethoxyphenyl)sulfamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 20900806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).