N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide

C26H22N2O4S2 — CID 41145803

IUPACN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1
InChIInChI=1S/C26H22N2O4S2/c1-2-34(31,32)21-15-13-18(14-16-21)17-22(29)27-26-28-23(19-9-5-3-6-10-19)25(33-26)24(30)20-11-7-4-8-12-20/h3-16H,2,17H2,1H3,(H,27,28,29)
InChIKeyMDMLFHGEDDZHNU-UHFFFAOYSA-N
MW490.61 g/mol
LogP5.02
Rot. Bonds8

About N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide

N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide (PubChem CID 41145803) has the molecular formula C26H22N2O4S2 and a molecular weight of 490.61 g/mol. Its IUPAC name is N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide
PubChem CID41145803
Molecular FormulaC26H22N2O4S2
Molecular Weight490.61 g/mol
Exact Mass490.10
IUPAC NameN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1
InChIInChI=1S/C26H22N2O4S2/c1-2-34(31,32)21-15-13-18(14-16-21)17-22(29)27-26-28-23(19-9-5-3-6-10-19)25(33-26)24(30)20-11-7-4-8-12-20/h3-16H,2,17H2,1H3,(H,27,28,29)
InChIKeyMDMLFHGEDDZHNU-UHFFFAOYSA-N
XLogP5.02
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 981611
2-[(4-Methylphenyl)sulfonylamino]-n-(4-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 70789348
Ethyl 5-benzoyl-4-phenylthiazol-2-ylcarbamate
CID 7315331
N-[4-(3-Chlorophenyl)-5-(2-chlorobenzoyl)thiazole-2-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide
CID 56837193
4-{[4-Amino-5-(4-Sulfamoylbenzoyl)-1,3-Thiazol-2-Yl]amino}benzenesulfonamide
CID 66553048
N-[4-(2,5-Dichlorophenyl)-5-Phenyl-1,3-Thiazol-2-Yl]-2-[4-(Ethylsulfonyl)phenyl]acetamide
CID 91826672
2-[4-(ethylsulfonyl)phenyl]-N-{5-[2-(2-methylpropyl)benzoyl]-4-phenyl-1,3-thiazol-2-yl}acetamide
CID 132473003
N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 982683
N-[5-(2,4-difluorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 162665401
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 4093356
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-fluorobenzamide
CID 4625935
2-[(4-fluorophenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 2336835

Frequently Asked Questions

What is the IUPAC name of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide (CID 41145803) is N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1.
What is the InChIKey of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is MDMLFHGEDDZHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4S2/c1-2-34(31,32)21-15-13-18(14-16-21)17-22(29)27-26-28-23(19-9-5-3-6-10-19)25(33-26)24(30)20-11-7-4-8-12-20/h3-16H,2,17H2,1H3,(H,27,28,29).
What are the key properties of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide?
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 490.61 g/mol, XLogP of 5.02, 8 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)-2-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 41145803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).