2-ethylsulfinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide

C9H16F3NO2S — CID 75427200

IUPAC2-ethylsulfinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCS(=O)CC(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C9H16F3NO2S/c1-4-16(15)5-8(14)13(7(2)3)6-9(10,11)12/h7H,4-6H2,1-3H3
InChIKeyMBJYJXXZNYXVCU-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.55
Rot. Bonds5

About 2-ethylsulfinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide

2-ethylsulfinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 75427200) has the molecular formula C9H16F3NO2S and a molecular weight of 259.29 g/mol. Its IUPAC name is 2-ethylsulfinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-ethylsulfinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID75427200
Molecular FormulaC9H16F3NO2S
Molecular Weight259.29 g/mol
Exact Mass259.09
IUPAC Name2-ethylsulfinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCS(=O)CC(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C9H16F3NO2S/c1-4-16(15)5-8(14)13(7(2)3)6-9(10,11)12/h7H,4-6H2,1-3H3
InChIKeyMBJYJXXZNYXVCU-UHFFFAOYSA-N
XLogP1.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethylsulfinyl-N-propan-2-yl-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-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 60770828
2,2,2-trifluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64592645
3-ethyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)urea
CID 115585947
(2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 79024502
2-(azetidin-3-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64610975
2-methyl-3-oxo-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 114897583
(2S)-2-amino-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 61165092
4-methyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pentanamide
CID 134570976
2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 62636977
2-[4-(aminomethyl)cyclohexyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 63612057
(2R)-2-amino-3,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 103929257
2-[ethyl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62822397

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-ethylsulfinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 75427200) is 2-ethylsulfinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-ethylsulfinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-ethylsulfinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide is CCS(=O)CC(=O)N(CC(F)(F)F)C(C)C.
What is the InChIKey of 2-ethylsulfinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is MBJYJXXZNYXVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2S/c1-4-16(15)5-8(14)13(7(2)3)6-9(10,11)12/h7H,4-6H2,1-3H3.
What are the key properties of 2-ethylsulfinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
2-ethylsulfinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 259.29 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 75427200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).