3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C19H19N3O4S2 — CID 2679337

IUPAC3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3nc(C)cs3)c2)cc1
InChIInChI=1S/C19H19N3O4S2/c1-13-12-27-19(20-13)21-18(23)14-5-4-6-17(11-14)28(24,25)22(2)15-7-9-16(26-3)10-8-15/h4-12H,1-3H3,(H,20,21,23)
InChIKeyZQUHNYJNGOFHQM-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.54
Rot. Bonds6

About 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide

3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 2679337) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID2679337
Molecular FormulaC19H19N3O4S2
Molecular Weight417.51 g/mol
Exact Mass417.08
IUPAC Name3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3nc(C)cs3)c2)cc1
InChIInChI=1S/C19H19N3O4S2/c1-13-12-27-19(20-13)21-18(23)14-5-4-6-17(11-14)28(24,25)22(2)15-7-9-16(26-3)10-8-15/h4-12H,1-3H3,(H,20,21,23)
InChIKeyZQUHNYJNGOFHQM-UHFFFAOYSA-N
XLogP3.54
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 2679337) is 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide is COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3nc(C)cs3)c2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is ZQUHNYJNGOFHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S2/c1-13-12-27-19(20-13)21-18(23)14-5-4-6-17(11-14)28(24,25)22(2)15-7-9-16(26-3)10-8-15/h4-12H,1-3H3,(H,20,21,23).
What are the key properties of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 417.51 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2679337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).