3-[benzyl-(4-methoxyphenyl)sulfamoyl]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide

C24H23N3O4S2 — CID 2112990

IUPAC3-[benzyl-(4-methoxyphenyl)sulfamoyl]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(C(=O)NC3=NCCS3)c2)cc1
InChIInChI=1S/C24H23N3O4S2/c1-31-21-12-10-20(11-13-21)27(17-18-6-3-2-4-7-18)33(29,30)22-9-5-8-19(16-22)23(28)26-24-25-14-15-32-24/h2-13,16H,14-15,17H2,1H3,(H,25,26,28)
InChIKeyLBGMWLZNXQABQW-UHFFFAOYSA-N
MW481.60 g/mol
LogP3.92
Rot. Bonds7

About 3-[benzyl-(4-methoxyphenyl)sulfamoyl]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide

3-[benzyl-(4-methoxyphenyl)sulfamoyl]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide (PubChem CID 2112990) has the molecular formula C24H23N3O4S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is 3-[benzyl-(4-methoxyphenyl)sulfamoyl]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[benzyl-(4-methoxyphenyl)sulfamoyl]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
PubChem CID2112990
Molecular FormulaC24H23N3O4S2
Molecular Weight481.60 g/mol
Exact Mass481.11
IUPAC Name3-[benzyl-(4-methoxyphenyl)sulfamoyl]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(C(=O)NC3=NCCS3)c2)cc1
InChIInChI=1S/C24H23N3O4S2/c1-31-21-12-10-20(11-13-21)27(17-18-6-3-2-4-7-18)33(29,30)22-9-5-8-19(16-22)23(28)26-24-25-14-15-32-24/h2-13,16H,14-15,17H2,1H3,(H,25,26,28)
InChIKeyLBGMWLZNXQABQW-UHFFFAOYSA-N
XLogP3.92
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-(4-methoxyphenyl)sulfamoyl]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-[benzyl-(4-methoxyphenyl)sulfamoyl]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide (CID 2112990) is 3-[benzyl-(4-methoxyphenyl)sulfamoyl]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-[benzyl-(4-methoxyphenyl)sulfamoyl]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-[benzyl-(4-methoxyphenyl)sulfamoyl]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide is COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(C(=O)NC3=NCCS3)c2)cc1.
What is the InChIKey of 3-[benzyl-(4-methoxyphenyl)sulfamoyl]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The InChIKey is LBGMWLZNXQABQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S2/c1-31-21-12-10-20(11-13-21)27(17-18-6-3-2-4-7-18)33(29,30)22-9-5-8-19(16-22)23(28)26-24-25-14-15-32-24/h2-13,16H,14-15,17H2,1H3,(H,25,26,28).
What are the key properties of 3-[benzyl-(4-methoxyphenyl)sulfamoyl]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
3-[benzyl-(4-methoxyphenyl)sulfamoyl]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide has a molecular weight of 481.60 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-(4-methoxyphenyl)sulfamoyl]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2112990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).