2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)acetamide

C11H12F3NOS — CID 10754015

IUPAC2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)acetamide
SMILESCN(CCSc1ccccc1)C(=O)C(F)(F)F
InChIInChI=1S/C11H12F3NOS/c1-15(10(16)11(12,13)14)7-8-17-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyHXVDCFWKOKMBPJ-UHFFFAOYSA-N
MW263.28 g/mol
LogP2.80
Rot. Bonds4

About 2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)acetamide

2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)acetamide (PubChem CID 10754015) has the molecular formula C11H12F3NOS and a molecular weight of 263.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)acetamide
PubChem CID10754015
Molecular FormulaC11H12F3NOS
Molecular Weight263.28 g/mol
Exact Mass263.06
IUPAC Name2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)acetamide
SMILESCN(CCSc1ccccc1)C(=O)C(F)(F)F
InChIInChI=1S/C11H12F3NOS/c1-15(10(16)11(12,13)14)7-8-17-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyHXVDCFWKOKMBPJ-UHFFFAOYSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-(Phenylthio)ethyl)acetamide
CID 13250272
1-Methyl-4-[(phenylthio)acetyl]-1,4-diazepane
CID 6467918
N-[2-(tert-butylsulfanyl)ethyl]-2-(phenylsulfanyl)acetamide
CID 4339369
3-(Phenylthio)-1-(1-pyrrolidinyl)-1-propanone
CID 3316051
2-Phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone
CID 6468301
AC1Lgqzx
CID 875426
N-(1-phenylsulfanylpropan-2-yl)acetamide
CID 49865423
N-[(2S)-1-phenylsulfanylpropan-2-yl]acetamide
CID 49865425
Carbamothioic acid, N,N-diethyl-, S-phenyl ester
CID 182687
2,2,2-trifluoro-N-[methyl(phenyl)-lambda4-sulfanylidene]acetamide
CID 85968405
N-[2-(dimethylamino)ethyl]-2-(phenylsulfanyl)acetamide
CID 215579
Acetamide, 2-(phenylthio)-N-butyl-N-ethyl-
CID 2164695

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)acetamide (CID 10754015) is 2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)acetamide is CN(CCSc1ccccc1)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)acetamide?
The InChIKey is HXVDCFWKOKMBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NOS/c1-15(10(16)11(12,13)14)7-8-17-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)acetamide?
2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)acetamide has a molecular weight of 263.28 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)acetamide is sourced from PubChem (CID 10754015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).