2-(2-amino-2-methylpropyl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide

C12H15F3N2OS — CID 66221649

IUPAC2-(2-amino-2-methylpropyl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide
SMILESCC(C)(N)CSCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C12H15F3N2OS/c1-12(2,16)6-19-5-9(18)17-8-4-3-7(13)10(14)11(8)15/h3-4H,5-6,16H2,1-2H3,(H,17,18)
InChIKeyYIOWCWLASYOVBS-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.51
Rot. Bonds5

About 2-(2-amino-2-methylpropyl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide

2-(2-amino-2-methylpropyl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 66221649) has the molecular formula C12H15F3N2OS and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-(2-amino-2-methylpropyl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-2-methylpropyl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID66221649
Molecular FormulaC12H15F3N2OS
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC Name2-(2-amino-2-methylpropyl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide
SMILESCC(C)(N)CSCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C12H15F3N2OS/c1-12(2,16)6-19-5-9(18)17-8-4-3-7(13)10(14)11(8)15/h3-4H,5-6,16H2,1-2H3,(H,17,18)
InChIKeyYIOWCWLASYOVBS-UHFFFAOYSA-N
XLogP2.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-2-methylpropyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 66228322
2-(2-amino-2-methylpropyl)sulfanyl-N-(4-bromo-2-fluorophenyl)acetamide
CID 66230883
2-tert-butylsulfanyl-N-(2,3,4-trifluorophenyl)acetamide
CID 78781855
3-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]sulfanylpropanoic acid
CID 43237288
2-(2-amino-2-methylpropyl)sulfanyl-N-(2,3-dimethylphenyl)acetamide
CID 66229045
2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3,4-trifluorophenyl)acetamide
CID 7876516
3-amino-N-(2,3-difluorophenyl)-3-methylbutanamide
CID 64678372
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide
CID 3627095
2,2-dimethyl-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]propanamide
CID 18155036
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,3,4-trifluorophenyl)acetamide
CID 9454427
2-[(2-cyanophenyl)methylsulfanyl]-N-(2,3,4-trifluorophenyl)acetamide
CID 8967350
2-(3-aminopyrazin-2-yl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide
CID 106679095

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-methylpropyl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(2-amino-2-methylpropyl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide (CID 66221649) is 2-(2-amino-2-methylpropyl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(2-amino-2-methylpropyl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(2-amino-2-methylpropyl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide is CC(C)(N)CSCC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(2-amino-2-methylpropyl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is YIOWCWLASYOVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2OS/c1-12(2,16)6-19-5-9(18)17-8-4-3-7(13)10(14)11(8)15/h3-4H,5-6,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(2-amino-2-methylpropyl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide?
2-(2-amino-2-methylpropyl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 292.33 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-methylpropyl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 66221649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).