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

C13H14N2O5S2 — CID 20900799

IUPAC4-[(3,4-dimethoxyphenyl)sulfamoyl]thiophene-2-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2csc(C(N)=O)c2)cc1OC
InChIInChI=1S/C13H14N2O5S2/c1-19-10-4-3-8(5-11(10)20-2)15-22(17,18)9-6-12(13(14)16)21-7-9/h3-7,15H,1-2H3,(H2,14,16)
InChIKeyVEBZXXYRPNTEIF-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.66
Rot. Bonds6

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

4-[(3,4-dimethoxyphenyl)sulfamoyl]thiophene-2-carboxamide (PubChem CID 20900799) has the molecular formula C13H14N2O5S2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-[(3,4-dimethoxyphenyl)sulfamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(3,4-dimethoxyphenyl)sulfamoyl]thiophene-2-carboxamide
PubChem CID20900799
Molecular FormulaC13H14N2O5S2
Molecular Weight342.40 g/mol
Exact Mass342.03
IUPAC Name4-[(3,4-dimethoxyphenyl)sulfamoyl]thiophene-2-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2csc(C(N)=O)c2)cc1OC
InChIInChI=1S/C13H14N2O5S2/c1-19-10-4-3-8(5-11(10)20-2)15-22(17,18)9-6-12(13(14)16)21-7-9/h3-7,15H,1-2H3,(H2,14,16)
InChIKeyVEBZXXYRPNTEIF-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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Related Compounds

N-(3,4-dimethoxyphenyl)thiophene-2-carboxamide
CID 670502
N-(3,4-dimethoxyphenyl)-5-methylthiophene-3-carboxamide
CID 1247262
4-[(4-Methoxyphenyl)sulfamoyl]thiophene-2-carboxamide
CID 6486042
4-[(4-Ethoxyphenyl)sulfamoyl]thiophene-2-carboxamide
CID 6486051
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophenesulfonamide
CID 713129
4-{[(2-Ethoxyphenyl)amino]sulfonyl}thiophene-2-carboxamide
CID 20900835
Thiophene-2-sulfonic acid benzo[1,3]dioxol-5-ylamide
CID 651313
4-{[(3-Methoxyphenyl)amino]sulfonyl}thiophene-2-carboxamide
CID 20900802
4-[(4-methoxyphenyl)sulfamoyl]-N-methylthiophene-2-carboxamide
CID 6503906
4-[(3,5-Dimethoxyphenyl)sulfamoyl]thiophene-2-carboxamide
CID 20900806
4-[Ethyl(4-methoxyphenyl)sulfamoyl]thiophene-2-carboxamide
CID 20900849
4-{[({4-[(3,4-Dimethoxyanilino)carbonyl]cyclohexyl}methyl)amino]sulfonyl}-2-thiophenecarboxamide
CID 20937366

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethoxyphenyl)sulfamoyl]thiophene-2-carboxamide?
The IUPAC name of 4-[(3,4-dimethoxyphenyl)sulfamoyl]thiophene-2-carboxamide (CID 20900799) is 4-[(3,4-dimethoxyphenyl)sulfamoyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[(3,4-dimethoxyphenyl)sulfamoyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[(3,4-dimethoxyphenyl)sulfamoyl]thiophene-2-carboxamide is COc1ccc(NS(=O)(=O)c2csc(C(N)=O)c2)cc1OC.
What is the InChIKey of 4-[(3,4-dimethoxyphenyl)sulfamoyl]thiophene-2-carboxamide?
The InChIKey is VEBZXXYRPNTEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5S2/c1-19-10-4-3-8(5-11(10)20-2)15-22(17,18)9-6-12(13(14)16)21-7-9/h3-7,15H,1-2H3,(H2,14,16).
What are the key properties of 4-[(3,4-dimethoxyphenyl)sulfamoyl]thiophene-2-carboxamide?
4-[(3,4-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-[(3,4-dimethoxyphenyl)sulfamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 20900799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).