4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide

C23H21N3O4S2 — CID 2426761

IUPAC4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(C)sc3c2)cc1
InChIInChI=1S/C23H21N3O4S2/c1-15-24-19-13-10-17(14-22(19)31-15)25-23(27)16-8-11-18(12-9-16)32(28,29)26(2)20-6-4-5-7-21(20)30-3/h4-14H,1-3H3,(H,25,27)
InChIKeyKDUUQHQGVMSQLP-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.69
Rot. Bonds6

About 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide

4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide (PubChem CID 2426761) has the molecular formula C23H21N3O4S2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
PubChem CID2426761
Molecular FormulaC23H21N3O4S2
Molecular Weight467.57 g/mol
Exact Mass467.10
IUPAC Name4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(C)sc3c2)cc1
InChIInChI=1S/C23H21N3O4S2/c1-15-24-19-13-10-17(14-22(19)31-15)25-23(27)16-8-11-18(12-9-16)32(28,29)26(2)20-6-4-5-7-21(20)30-3/h4-14H,1-3H3,(H,25,27)
InChIKeyKDUUQHQGVMSQLP-UHFFFAOYSA-N
XLogP4.69
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide (CID 2426761) is 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide is COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(C)sc3c2)cc1.
What is the InChIKey of 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is KDUUQHQGVMSQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S2/c1-15-24-19-13-10-17(14-22(19)31-15)25-23(27)16-8-11-18(12-9-16)32(28,29)26(2)20-6-4-5-7-21(20)30-3/h4-14H,1-3H3,(H,25,27).
What are the key properties of 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 467.57 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 2426761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).