2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfonyl]-N-[3-(trifluoromethyl)phenyl]acetamide

C19H15F3N2O3S2 — CID 46589853

IUPAC2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfonyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CS(=O)(=O)Cc1csc(-c2ccccc2)n1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H15F3N2O3S2/c20-19(21,22)14-7-4-8-15(9-14)23-17(25)12-29(26,27)11-16-10-28-18(24-16)13-5-2-1-3-6-13/h1-10H,11-12H2,(H,23,25)
InChIKeyFSJWKCQVGHCOLD-UHFFFAOYSA-N
MW440.47 g/mol
LogP4.38
Rot. Bonds6

About 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfonyl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfonyl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 46589853) has the molecular formula C19H15F3N2O3S2 and a molecular weight of 440.47 g/mol. Its IUPAC name is 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfonyl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfonyl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID46589853
Molecular FormulaC19H15F3N2O3S2
Molecular Weight440.47 g/mol
Exact Mass440.05
IUPAC Name2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfonyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CS(=O)(=O)Cc1csc(-c2ccccc2)n1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H15F3N2O3S2/c20-19(21,22)14-7-4-8-15(9-14)23-17(25)12-29(26,27)11-16-10-28-18(24-16)13-5-2-1-3-6-13/h1-10H,11-12H2,(H,23,25)
InChIKeyFSJWKCQVGHCOLD-UHFFFAOYSA-N
XLogP4.38
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 110330068
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7668155
N-(3-hydroxyphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 78783427
(2-phenyl-1,3-thiazol-4-yl)methyl 3-(trifluoromethyl)benzoate
CID 7860078
1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286137
N-(3-methylsulfanylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31701201
4-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]benzoic acid
CID 53353917
2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 20860717
CID 89006052
CID 89006052
2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 110389693
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4680949
2-isoquinolin-2-ium-2-yl-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 126958260

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfonyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfonyl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 46589853) is 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfonyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfonyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfonyl]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CS(=O)(=O)Cc1csc(-c2ccccc2)n1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfonyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is FSJWKCQVGHCOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3S2/c20-19(21,22)14-7-4-8-15(9-14)23-17(25)12-29(26,27)11-16-10-28-18(24-16)13-5-2-1-3-6-13/h1-10H,11-12H2,(H,23,25).
What are the key properties of 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfonyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfonyl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 440.47 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfonyl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 46589853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).