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

C25H22N2O3S2 — CID 26213278

IUPAC2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide
SMILESCc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C25H22N2O3S2/c1-17-8-10-18(11-9-17)24-22(27-25(31-24)19-6-4-3-5-7-19)16-23(28)26-20-12-14-21(15-13-20)32(2,29)30/h3-15H,16H2,1-2H3,(H,26,28)
InChIKeyKLCLPGKAVGRGSQ-UHFFFAOYSA-N
MW462.60 g/mol
LogP5.37
Rot. Bonds6

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

2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide (PubChem CID 26213278) has the molecular formula C25H22N2O3S2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide
PubChem CID26213278
Molecular FormulaC25H22N2O3S2
Molecular Weight462.60 g/mol
Exact Mass462.11
IUPAC Name2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide
SMILESCc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C25H22N2O3S2/c1-17-8-10-18(11-9-17)24-22(27-25(31-24)19-6-4-3-5-7-19)16-23(28)26-20-12-14-21(15-13-20)32(2,29)30/h3-15H,16H2,1-2H3,(H,26,28)
InChIKeyKLCLPGKAVGRGSQ-UHFFFAOYSA-N
XLogP5.37
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.60
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetamide
CID 7947323
N',N'-dimethyl-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetohydrazide
CID 9164043
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-methylsulfonylphenyl)acetamide
CID 18586875
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 9455853
(4-methylphenyl) 2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetate
CID 7901017
cyanomethyl 2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetate
CID 7951945
N-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 41139632
N-(3,5-dichloro-4-phenylphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 123708136
4-methylsulfonyl-N-(4-phenylphenyl)benzamide
CID 7998967
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 17498942
N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-4-methylsulfonylaniline
CID 127049240
N-(4-methylphenyl)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 110329096

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide (CID 26213278) is 2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide is Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide?
The InChIKey is KLCLPGKAVGRGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3S2/c1-17-8-10-18(11-9-17)24-22(27-25(31-24)19-6-4-3-5-7-19)16-23(28)26-20-12-14-21(15-13-20)32(2,29)30/h3-15H,16H2,1-2H3,(H,26,28).
What are the key properties of 2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide?
2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide has a molecular weight of 462.60 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 26213278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).