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

C11H10BrF3N2O2S — CID 46619664

IUPAC2-(4-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESO=C(CSc1ccc(Br)cc1)NC(=O)NCC(F)(F)F
InChIInChI=1S/C11H10BrF3N2O2S/c12-7-1-3-8(4-2-7)20-5-9(18)17-10(19)16-6-11(13,14)15/h1-4H,5-6H2,(H2,16,17,18,19)
InChIKeyAFARFWDKVXTEDF-UHFFFAOYSA-N
MW371.18 g/mol
LogP2.93
Rot. Bonds4

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

2-(4-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (PubChem CID 46619664) has the molecular formula C11H10BrF3N2O2S and a molecular weight of 371.18 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
PubChem CID46619664
Molecular FormulaC11H10BrF3N2O2S
Molecular Weight371.18 g/mol
Exact Mass369.96
IUPAC Name2-(4-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESO=C(CSc1ccc(Br)cc1)NC(=O)NCC(F)(F)F
InChIInChI=1S/C11H10BrF3N2O2S/c12-7-1-3-8(4-2-7)20-5-9(18)17-10(19)16-6-11(13,14)15/h1-4H,5-6H2,(H2,16,17,18,19)
InChIKeyAFARFWDKVXTEDF-UHFFFAOYSA-N
XLogP2.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.18
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (CID 46619664) is 2-(4-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is O=C(CSc1ccc(Br)cc1)NC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The InChIKey is AFARFWDKVXTEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3N2O2S/c12-7-1-3-8(4-2-7)20-5-9(18)17-10(19)16-6-11(13,14)15/h1-4H,5-6H2,(H2,16,17,18,19).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
2-(4-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide has a molecular weight of 371.18 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is sourced from PubChem (CID 46619664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).