2-(4-fluorophenyl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide

C20H19FN2O3S2 — CID 7544713

IUPAC2-(4-fluorophenyl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(C)c1ccc(-c2csc(NC(=O)CS(=O)(=O)c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H19FN2O3S2/c1-13(2)14-3-5-15(6-4-14)18-11-27-20(22-18)23-19(24)12-28(25,26)17-9-7-16(21)8-10-17/h3-11,13H,12H2,1-2H3,(H,22,23,24)
InChIKeyRPGFDOQKCQQORW-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.49
Rot. Bonds6

About 2-(4-fluorophenyl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide

2-(4-fluorophenyl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 7544713) has the molecular formula C20H19FN2O3S2 and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID7544713
Molecular FormulaC20H19FN2O3S2
Molecular Weight418.52 g/mol
Exact Mass418.08
IUPAC Name2-(4-fluorophenyl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(C)c1ccc(-c2csc(NC(=O)CS(=O)(=O)c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H19FN2O3S2/c1-13(2)14-3-5-15(6-4-14)18-11-27-20(22-18)23-19(24)12-28(25,26)17-9-7-16(21)8-10-17/h3-11,13H,12H2,1-2H3,(H,22,23,24)
InChIKeyRPGFDOQKCQQORW-UHFFFAOYSA-N
XLogP4.49
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7543926
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide
CID 16832559
N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]butanamide
CID 3681052
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfonylacetamide
CID 4588547
3-(4-fluorophenyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4188807
(E)-3-(4-fluorophenyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 6031986
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 43951183
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 704241
methyl 4-[2-[4-(4-fluorophenyl)sulfonylbutanoylamino]-1,3-thiazol-4-yl]benzoate
CID 41274445
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1133114
2,3,4,5,6-pentafluoro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4060927
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 31288135

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide (CID 7544713) is 2-(4-fluorophenyl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide is CC(C)c1ccc(-c2csc(NC(=O)CS(=O)(=O)c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is RPGFDOQKCQQORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3S2/c1-13(2)14-3-5-15(6-4-14)18-11-27-20(22-18)23-19(24)12-28(25,26)17-9-7-16(21)8-10-17/h3-11,13H,12H2,1-2H3,(H,22,23,24).
What are the key properties of 2-(4-fluorophenyl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide?
2-(4-fluorophenyl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 418.52 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 7544713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).