2-(4-ethylsulfonylphenyl)-N-[5-(2-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]acetamide

C27H24N2O4S2 — CID 56847994

IUPAC2-(4-ethylsulfonylphenyl)-N-[5-(2-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3C)s2)cc1
InChIInChI=1S/C27H24N2O4S2/c1-3-35(32,33)21-15-13-19(14-16-21)17-23(30)28-27-29-24(20-10-5-4-6-11-20)26(34-27)25(31)22-12-8-7-9-18(22)2/h4-16H,3,17H2,1-2H3,(H,28,29,30)
InChIKeyLITCLGNNSURYND-UHFFFAOYSA-N
MW504.63 g/mol
LogP5.32
Rot. Bonds8

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

2-(4-ethylsulfonylphenyl)-N-[5-(2-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]acetamide (PubChem CID 56847994) has the molecular formula C27H24N2O4S2 and a molecular weight of 504.63 g/mol. Its IUPAC name is 2-(4-ethylsulfonylphenyl)-N-[5-(2-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfonylphenyl)-N-[5-(2-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
PubChem CID56847994
Molecular FormulaC27H24N2O4S2
Molecular Weight504.63 g/mol
Exact Mass504.12
IUPAC Name2-(4-ethylsulfonylphenyl)-N-[5-(2-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3C)s2)cc1
InChIInChI=1S/C27H24N2O4S2/c1-3-35(32,33)21-15-13-19(14-16-21)17-23(30)28-27-29-24(20-10-5-4-6-11-20)26(34-27)25(31)22-12-8-7-9-18(22)2/h4-16H,3,17H2,1-2H3,(H,28,29,30)
InChIKeyLITCLGNNSURYND-UHFFFAOYSA-N
XLogP5.32
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.63
LogP ≤ 55.32
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
2-(4-ethylsulfonylphenyl)-~{N}-[4-phenyl-5-(phenylcarbonyl)-1,3-thiazol-2-yl]ethanamide
CID 41145803
N-[4-(3-Chlorophenyl)-5-(2-chlorobenzoyl)thiazole-2-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide
CID 56837193
2-[4-(ethylsulfonyl)phenyl]-N-{5-[2-(2-methylpropyl)benzoyl]-4-phenyl-1,3-thiazol-2-yl}acetamide
CID 132473003
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
N-(5-(4-Methylbenzoyl)-4-phenylthiazol-2-yl)benzamide
CID 46228971
N-[5-benzoyl-4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 56848095
N-[5-benzoyl-4-(3-cyanophenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 56848145

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylphenyl)-N-[5-(2-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-ethylsulfonylphenyl)-N-[5-(2-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]acetamide (CID 56847994) is 2-(4-ethylsulfonylphenyl)-N-[5-(2-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-ethylsulfonylphenyl)-N-[5-(2-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-ethylsulfonylphenyl)-N-[5-(2-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3C)s2)cc1.
What is the InChIKey of 2-(4-ethylsulfonylphenyl)-N-[5-(2-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is LITCLGNNSURYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O4S2/c1-3-35(32,33)21-15-13-19(14-16-21)17-23(30)28-27-29-24(20-10-5-4-6-11-20)26(34-27)25(31)22-12-8-7-9-18(22)2/h4-16H,3,17H2,1-2H3,(H,28,29,30).
What are the key properties of 2-(4-ethylsulfonylphenyl)-N-[5-(2-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]acetamide?
2-(4-ethylsulfonylphenyl)-N-[5-(2-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 504.63 g/mol, XLogP of 5.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylphenyl)-N-[5-(2-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 56847994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).