ethane;N-(4,4,4-trifluoro-3-methylsulfonylbutyl)acetamide

C9H18F3NO3S — CID 155701897

IUPACethane;N-(4,4,4-trifluoro-3-methylsulfonylbutyl)acetamide
SMILESCC.CC(=O)NCCC(C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C7H12F3NO3S.C2H6/c1-5(12)11-4-3-6(7(8,9)10)15(2,13)14;1-2/h6H,3-4H2,1-2H3,(H,11,12);1-2H3
InChIKeyMIENZISUUSWGBS-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.51
Rot. Bonds4

About ethane;N-(4,4,4-trifluoro-3-methylsulfonylbutyl)acetamide

ethane;N-(4,4,4-trifluoro-3-methylsulfonylbutyl)acetamide (PubChem CID 155701897) has the molecular formula C9H18F3NO3S and a molecular weight of 277.31 g/mol. Its IUPAC name is ethane;N-(4,4,4-trifluoro-3-methylsulfonylbutyl)acetamide.

Molecular Properties

Compound Nameethane;N-(4,4,4-trifluoro-3-methylsulfonylbutyl)acetamide
PubChem CID155701897
Molecular FormulaC9H18F3NO3S
Molecular Weight277.31 g/mol
Exact Mass277.10
IUPAC Nameethane;N-(4,4,4-trifluoro-3-methylsulfonylbutyl)acetamide
SMILESCC.CC(=O)NCCC(C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C7H12F3NO3S.C2H6/c1-5(12)11-4-3-6(7(8,9)10)15(2,13)14;1-2/h6H,3-4H2,1-2H3,(H,11,12);1-2H3
InChIKeyMIENZISUUSWGBS-UHFFFAOYSA-N
XLogP1.51
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;N-(4,4,4-trifluoro-3-methylsulfonylbutyl)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

2,2,2-trifluoro-N-(2-methanesulfonylethyl)acetamide
CID 22609710
2,2,2-trifluoro-N-(2-methyl-2-methylsulfonylbutyl)acetamide
CID 117953814
2,2,2-trifluoro-N-(4-methylsulfonylbutyl)acetamide
CID 129217708
(2R)-2-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 130294141
3-(3,3-difluorobutylsulfonyl)-N-ethylpropanamide
CID 134298731
N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide
CID 138560238
2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide
CID 138562483
3-[Dimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azaniumyl]propane-1-sulfonate
CID 140799704
4-[Dimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azaniumyl]butane-2-sulfonate
CID 140799766
N-ethyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide
CID 142294702
ethane;N-ethyl-2,2,3,3,4,4,4-heptafluorobutanamide;N-ethyl-2-methylsulfonylacetamide
CID 144297377
3-(3,3-difluorobutylsulfinyl)-N-ethylpropanamide
CID 145160116

Frequently Asked Questions

What is the IUPAC name of ethane;N-(4,4,4-trifluoro-3-methylsulfonylbutyl)acetamide?
The IUPAC name of ethane;N-(4,4,4-trifluoro-3-methylsulfonylbutyl)acetamide (CID 155701897) is ethane;N-(4,4,4-trifluoro-3-methylsulfonylbutyl)acetamide.
What is the SMILES notation for ethane;N-(4,4,4-trifluoro-3-methylsulfonylbutyl)acetamide?
The canonical SMILES for ethane;N-(4,4,4-trifluoro-3-methylsulfonylbutyl)acetamide is CC.CC(=O)NCCC(C(F)(F)F)S(C)(=O)=O.
What is the InChIKey of ethane;N-(4,4,4-trifluoro-3-methylsulfonylbutyl)acetamide?
The InChIKey is MIENZISUUSWGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO3S.C2H6/c1-5(12)11-4-3-6(7(8,9)10)15(2,13)14;1-2/h6H,3-4H2,1-2H3,(H,11,12);1-2H3.
What are the key properties of ethane;N-(4,4,4-trifluoro-3-methylsulfonylbutyl)acetamide?
ethane;N-(4,4,4-trifluoro-3-methylsulfonylbutyl)acetamide has a molecular weight of 277.31 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4,4,4-trifluoro-3-methylsulfonylbutyl)acetamide is sourced from PubChem (CID 155701897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).