N-butyl-2-tert-butylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide

C12H22F3NOS — CID 78868727

IUPACN-butyl-2-tert-butylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CC(F)(F)F)C(=O)CSC(C)(C)C
InChIInChI=1S/C12H22F3NOS/c1-5-6-7-16(9-12(13,14)15)10(17)8-18-11(2,3)4/h5-9H2,1-4H3
InChIKeyUIUGSPPFPKZPFO-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.71
Rot. Bonds6

About N-butyl-2-tert-butylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide

N-butyl-2-tert-butylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 78868727) has the molecular formula C12H22F3NOS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-butyl-2-tert-butylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-butyl-2-tert-butylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID78868727
Molecular FormulaC12H22F3NOS
Molecular Weight285.37 g/mol
Exact Mass285.14
IUPAC NameN-butyl-2-tert-butylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CC(F)(F)F)C(=O)CSC(C)(C)C
InChIInChI=1S/C12H22F3NOS/c1-5-6-7-16(9-12(13,14)15)10(17)8-18-11(2,3)4/h5-9H2,1-4H3
InChIKeyUIUGSPPFPKZPFO-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-butyl-2-tert-butylsulfanyl-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

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-tert-butylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-butyl-2-tert-butylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide (CID 78868727) is N-butyl-2-tert-butylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-butyl-2-tert-butylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-butyl-2-tert-butylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide is CCCCN(CC(F)(F)F)C(=O)CSC(C)(C)C.
What is the InChIKey of N-butyl-2-tert-butylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is UIUGSPPFPKZPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NOS/c1-5-6-7-16(9-12(13,14)15)10(17)8-18-11(2,3)4/h5-9H2,1-4H3.
What are the key properties of N-butyl-2-tert-butylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
N-butyl-2-tert-butylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 285.37 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-tert-butylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 78868727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).