N-[5-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide

C25H18Cl2N2O4S2 — CID 87074553

IUPACN-[5-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cccc(Cl)c3)c(C(=O)c3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C25H18Cl2N2O4S2/c1-35(32,33)20-11-5-15(6-12-20)13-21(30)28-25-29-22(17-3-2-4-19(27)14-17)24(34-25)23(31)16-7-9-18(26)10-8-16/h2-12,14H,13H2,1H3,(H,28,29,30)
InChIKeyQERGDKSUTJOVFE-UHFFFAOYSA-N
MW545.47 g/mol
LogP5.93
Rot. Bonds7

About N-[5-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide

N-[5-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide (PubChem CID 87074553) has the molecular formula C25H18Cl2N2O4S2 and a molecular weight of 545.47 g/mol. Its IUPAC name is N-[5-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide
PubChem CID87074553
Molecular FormulaC25H18Cl2N2O4S2
Molecular Weight545.47 g/mol
Exact Mass544.01
IUPAC NameN-[5-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cccc(Cl)c3)c(C(=O)c3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C25H18Cl2N2O4S2/c1-35(32,33)20-11-5-15(6-12-20)13-21(30)28-25-29-22(17-3-2-4-19(27)14-17)24(34-25)23(31)16-7-9-18(26)10-8-16/h2-12,14H,13H2,1H3,(H,28,29,30)
InChIKeyQERGDKSUTJOVFE-UHFFFAOYSA-N
XLogP5.93
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.47
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3-chlorophenyl)-5-(2,6-dichlorophenoxy)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 88924704
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 4274612
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 44994230
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-ethylsulfonylbenzamide
CID 41044546
2-(4-chlorophenoxy)-N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19196435
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide
CID 16799550
2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 11438271
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)acetamide
CID 41139655
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3582528
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 19194860
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-bromophenyl)acetamide
CID 26196726
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 9094379

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of N-[5-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide (CID 87074553) is N-[5-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[5-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-[5-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cccc(Cl)c3)c(C(=O)c3ccc(Cl)cc3)s2)cc1.
What is the InChIKey of N-[5-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide?
The InChIKey is QERGDKSUTJOVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N2O4S2/c1-35(32,33)20-11-5-15(6-12-20)13-21(30)28-25-29-22(17-3-2-4-19(27)14-17)24(34-25)23(31)16-7-9-18(26)10-8-16/h2-12,14H,13H2,1H3,(H,28,29,30).
What are the key properties of N-[5-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide?
N-[5-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide has a molecular weight of 545.47 g/mol, XLogP of 5.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 87074553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).