N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(dimethylsulfamoyl)benzamide

C25H21N3O4S2 — CID 4045703

IUPACN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1
InChIInChI=1S/C25H21N3O4S2/c1-28(2)34(31,32)20-15-13-19(14-16-20)24(30)27-25-26-21(17-9-5-3-6-10-17)23(33-25)22(29)18-11-7-4-8-12-18/h3-16H,1-2H3,(H,26,27,30)
InChIKeyFZZJBVASZFYEAJ-UHFFFAOYSA-N
MW491.59 g/mol
LogP4.54
Rot. Bonds7

About N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(dimethylsulfamoyl)benzamide

N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(dimethylsulfamoyl)benzamide (PubChem CID 4045703) has the molecular formula C25H21N3O4S2 and a molecular weight of 491.59 g/mol. Its IUPAC name is N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(dimethylsulfamoyl)benzamide
PubChem CID4045703
Molecular FormulaC25H21N3O4S2
Molecular Weight491.59 g/mol
Exact Mass491.10
IUPAC NameN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1
InChIInChI=1S/C25H21N3O4S2/c1-28(2)34(31,32)20-15-13-19(14-16-20)24(30)27-25-26-21(17-9-5-3-6-10-17)23(33-25)22(29)18-11-7-4-8-12-18/h3-16H,1-2H3,(H,26,27,30)
InChIKeyFZZJBVASZFYEAJ-UHFFFAOYSA-N
XLogP4.54
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(dimethylsulfamoyl)benzamide (CID 4045703) is N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1.
What is the InChIKey of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(dimethylsulfamoyl)benzamide?
The InChIKey is FZZJBVASZFYEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4S2/c1-28(2)34(31,32)20-15-13-19(14-16-20)24(30)27-25-26-21(17-9-5-3-6-10-17)23(33-25)22(29)18-11-7-4-8-12-18/h3-16H,1-2H3,(H,26,27,30).
What are the key properties of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(dimethylsulfamoyl)benzamide?
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(dimethylsulfamoyl)benzamide has a molecular weight of 491.59 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 4045703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).