4,4,4-trifluoro-N-methyl-N-(2-methylsulfonylcyclopentyl)butanamide

C11H18F3NO3S — CID 71973318

IUPAC4,4,4-trifluoro-N-methyl-N-(2-methylsulfonylcyclopentyl)butanamide
SMILESCN(C(=O)CCC(F)(F)F)C1CCCC1S(C)(=O)=O
InChIInChI=1S/C11H18F3NO3S/c1-15(10(16)6-7-11(12,13)14)8-4-3-5-9(8)19(2,17)18/h8-9H,3-7H2,1-2H3
InChIKeyDJLAMPJUQVVLKF-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.75
Rot. Bonds4

About 4,4,4-trifluoro-N-methyl-N-(2-methylsulfonylcyclopentyl)butanamide

4,4,4-trifluoro-N-methyl-N-(2-methylsulfonylcyclopentyl)butanamide (PubChem CID 71973318) has the molecular formula C11H18F3NO3S and a molecular weight of 301.33 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-methyl-N-(2-methylsulfonylcyclopentyl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-methyl-N-(2-methylsulfonylcyclopentyl)butanamide
PubChem CID71973318
Molecular FormulaC11H18F3NO3S
Molecular Weight301.33 g/mol
Exact Mass301.10
IUPAC Name4,4,4-trifluoro-N-methyl-N-(2-methylsulfonylcyclopentyl)butanamide
SMILESCN(C(=O)CCC(F)(F)F)C1CCCC1S(C)(=O)=O
InChIInChI=1S/C11H18F3NO3S/c1-15(10(16)6-7-11(12,13)14)8-4-3-5-9(8)19(2,17)18/h8-9H,3-7H2,1-2H3
InChIKeyDJLAMPJUQVVLKF-UHFFFAOYSA-N
XLogP1.75
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,4,4-trifluoro-N-methyl-N-(2-methylsulfonylcyclopentyl)butanamide 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

N-cyclopentyl-1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide
CID 75424356
1-[(2S,4S)-4-fluoro-2-(methylsulfonylmethyl)pyrrolidin-1-yl]-3-sulfanylpropan-1-one
CID 177681510
N-butyl-N-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoroacetamide
CID 60707461
3-cyclopentylsulfonyl-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78883745
N-butyl-3-cyclopentylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78883990
N-butyl-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78883992
3-cyclopentylsulfonyl-N-methyl-N-(3,3,3-trifluoropropyl)propanamide
CID 86833617
4,4,4-Trifluoro-1-(4-(methylsulfonyl)piperidin-1-yl)butan-1-one
CID 90586500
4,4,4-Trifluoro-1-(3-(methylsulfonyl)pyrrolidin-1-yl)butan-1-one
CID 90586991
(3S)-N-cyclopentyl-1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide
CID 97319650
(3R)-N-cyclopentyl-1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide
CID 97319651
4,4,4-trifluoro-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]butanamide
CID 97597366

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-methyl-N-(2-methylsulfonylcyclopentyl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-methyl-N-(2-methylsulfonylcyclopentyl)butanamide (CID 71973318) is 4,4,4-trifluoro-N-methyl-N-(2-methylsulfonylcyclopentyl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-methyl-N-(2-methylsulfonylcyclopentyl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-methyl-N-(2-methylsulfonylcyclopentyl)butanamide is CN(C(=O)CCC(F)(F)F)C1CCCC1S(C)(=O)=O.
What is the InChIKey of 4,4,4-trifluoro-N-methyl-N-(2-methylsulfonylcyclopentyl)butanamide?
The InChIKey is DJLAMPJUQVVLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3S/c1-15(10(16)6-7-11(12,13)14)8-4-3-5-9(8)19(2,17)18/h8-9H,3-7H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N-methyl-N-(2-methylsulfonylcyclopentyl)butanamide?
4,4,4-trifluoro-N-methyl-N-(2-methylsulfonylcyclopentyl)butanamide has a molecular weight of 301.33 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-methyl-N-(2-methylsulfonylcyclopentyl)butanamide is sourced from PubChem (CID 71973318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).