3-(benzenesulfonamido)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide

C24H21N3O3S2 — CID 121041534

IUPAC3-(benzenesulfonamido)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCc1ccc(-c2csc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)n2)cc1
InChIInChI=1S/C24H21N3O3S2/c1-2-17-11-13-18(14-12-17)22-16-31-24(25-22)26-23(28)19-7-6-8-20(15-19)27-32(29,30)21-9-4-3-5-10-21/h3-16,27H,2H2,1H3,(H,25,26,28)
InChIKeyCEXCOQMEWUOUBS-UHFFFAOYSA-N
MW463.58 g/mol
LogP5.43
Rot. Bonds7

About 3-(benzenesulfonamido)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide

3-(benzenesulfonamido)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 121041534) has the molecular formula C24H21N3O3S2 and a molecular weight of 463.58 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID121041534
Molecular FormulaC24H21N3O3S2
Molecular Weight463.58 g/mol
Exact Mass463.10
IUPAC Name3-(benzenesulfonamido)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCc1ccc(-c2csc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)n2)cc1
InChIInChI=1S/C24H21N3O3S2/c1-2-17-11-13-18(14-12-17)22-16-31-24(25-22)26-23(28)19-7-6-8-20(15-19)27-32(29,30)21-9-4-3-5-10-21/h3-16,27H,2H2,1H3,(H,25,26,28)
InChIKeyCEXCOQMEWUOUBS-UHFFFAOYSA-N
XLogP5.43
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043156
3-(methanesulfonamido)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 18127523
3-(benzenesulfonamido)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 24686775
3-(cyclopropylsulfamoyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46667861
N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043159
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide
CID 41028740
3-(benzenesulfonamido)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 121041538
N-(4-phenyl-1,3-thiazol-2-yl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 2344834
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072
5-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 70789482
4-(benzenesulfonamido)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 121043565
3-(diethylsulfamoyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1275885

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide (CID 121041534) is 3-(benzenesulfonamido)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide is CCc1ccc(-c2csc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)n2)cc1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is CEXCOQMEWUOUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S2/c1-2-17-11-13-18(14-12-17)22-16-31-24(25-22)26-23(28)19-7-6-8-20(15-19)27-32(29,30)21-9-4-3-5-10-21/h3-16,27H,2H2,1H3,(H,25,26,28).
What are the key properties of 3-(benzenesulfonamido)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide?
3-(benzenesulfonamido)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 463.58 g/mol, XLogP of 5.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 121041534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).