2-(4-hydroxyphenyl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

C11H11F3N2O3S — CID 47477184

IUPAC2-(4-hydroxyphenyl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESO=C(CSc1ccc(O)cc1)NC(=O)NCC(F)(F)F
InChIInChI=1S/C11H11F3N2O3S/c12-11(13,14)6-15-10(19)16-9(18)5-20-8-3-1-7(17)2-4-8/h1-4,17H,5-6H2,(H2,15,16,18,19)
InChIKeyKSDZQNBKOFHROG-UHFFFAOYSA-N
MW308.28 g/mol
LogP1.87
Rot. Bonds4

About 2-(4-hydroxyphenyl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

2-(4-hydroxyphenyl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (PubChem CID 47477184) has the molecular formula C11H11F3N2O3S and a molecular weight of 308.28 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
PubChem CID47477184
Molecular FormulaC11H11F3N2O3S
Molecular Weight308.28 g/mol
Exact Mass308.04
IUPAC Name2-(4-hydroxyphenyl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESO=C(CSc1ccc(O)cc1)NC(=O)NCC(F)(F)F
InChIInChI=1S/C11H11F3N2O3S/c12-11(13,14)6-15-10(19)16-9(18)5-20-8-3-1-7(17)2-4-8/h1-4,17H,5-6H2,(H2,15,16,18,19)
InChIKeyKSDZQNBKOFHROG-UHFFFAOYSA-N
XLogP1.87
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The IUPAC name of 2-(4-hydroxyphenyl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (CID 47477184) is 2-(4-hydroxyphenyl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-hydroxyphenyl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is O=C(CSc1ccc(O)cc1)NC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(4-hydroxyphenyl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The InChIKey is KSDZQNBKOFHROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3S/c12-11(13,14)6-15-10(19)16-9(18)5-20-8-3-1-7(17)2-4-8/h1-4,17H,5-6H2,(H2,15,16,18,19).
What are the key properties of 2-(4-hydroxyphenyl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
2-(4-hydroxyphenyl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide has a molecular weight of 308.28 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is sourced from PubChem (CID 47477184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).