3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide

C20H20N2O4S2 — CID 18114197

IUPAC3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N(C)Cc3cccs3)c2)cc1
InChIInChI=1S/C20H20N2O4S2/c1-22(14-18-6-4-12-27-18)20(23)15-5-3-7-19(13-15)28(24,25)21-16-8-10-17(26-2)11-9-16/h3-13,21H,14H2,1-2H3
InChIKeyACSFBDJBWKINLU-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.83
Rot. Bonds7

About 3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide

3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 18114197) has the molecular formula C20H20N2O4S2 and a molecular weight of 416.52 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID18114197
Molecular FormulaC20H20N2O4S2
Molecular Weight416.52 g/mol
Exact Mass416.09
IUPAC Name3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N(C)Cc3cccs3)c2)cc1
InChIInChI=1S/C20H20N2O4S2/c1-22(14-18-6-4-12-27-18)20(23)15-5-3-7-19(13-15)28(24,25)21-16-8-10-17(26-2)11-9-16/h3-13,21H,14H2,1-2H3
InChIKeyACSFBDJBWKINLU-UHFFFAOYSA-N
XLogP3.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide (CID 18114197) is 3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide is COc1ccc(NS(=O)(=O)c2cccc(C(=O)N(C)Cc3cccs3)c2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is ACSFBDJBWKINLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S2/c1-22(14-18-6-4-12-27-18)20(23)15-5-3-7-19(13-15)28(24,25)21-16-8-10-17(26-2)11-9-16/h3-13,21H,14H2,1-2H3.
What are the key properties of 3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 416.52 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 18114197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).