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

C10H9BrF3NOS — CID 78760679

IUPAC2-(4-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CSc1ccc(Br)cc1)NCC(F)(F)F
InChIInChI=1S/C10H9BrF3NOS/c11-7-1-3-8(4-2-7)17-5-9(16)15-6-10(12,13)14/h1-4H,5-6H2,(H,15,16)
InChIKeyIJCPLUANSIVRHG-UHFFFAOYSA-N
MW328.15 g/mol
LogP3.22
Rot. Bonds4

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

2-(4-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 78760679) has the molecular formula C10H9BrF3NOS and a molecular weight of 328.15 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID78760679
Molecular FormulaC10H9BrF3NOS
Molecular Weight328.15 g/mol
Exact Mass326.95
IUPAC Name2-(4-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CSc1ccc(Br)cc1)NCC(F)(F)F
InChIInChI=1S/C10H9BrF3NOS/c11-7-1-3-8(4-2-7)17-5-9(16)15-6-10(12,13)14/h1-4H,5-6H2,(H,15,16)
InChIKeyIJCPLUANSIVRHG-UHFFFAOYSA-N
XLogP3.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.15
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromophenyl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 104858278
2-(4-bromophenyl)sulfanyl-N-prop-2-ynylacetamide
CID 26570912
2-(4-amino-3-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 79149534
2-(4-bromophenyl)sulfanyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 103712702
2-(4-bromophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide
CID 66176868
2-(4-bromophenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 51321713
4-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 47102738
3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-2-hydroxypropanamide
CID 106165984
2-(4-amino-2-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 82841648
2-(4-bromophenyl)sulfanyl-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 5140284
2-(4-bromophenyl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43390574
2-(2-aminophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 43249189

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (CID 78760679) is 2-(4-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide is O=C(CSc1ccc(Br)cc1)NCC(F)(F)F.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is IJCPLUANSIVRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3NOS/c11-7-1-3-8(4-2-7)17-5-9(16)15-6-10(12,13)14/h1-4H,5-6H2,(H,15,16).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 328.15 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 78760679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).