2-acetamido-4-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]butanamide

C14H17F3N2O4S — CID 3577153

IUPAC2-acetamido-4-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESCC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O4S/c1-9(20)18-12(6-7-24(2,22)23)13(21)19-11-5-3-4-10(8-11)14(15,16)17/h3-5,8,12H,6-7H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyUGQNYDZRHCSSGZ-UHFFFAOYSA-N
MW366.36 g/mol
LogP1.58
Rot. Bonds6

About 2-acetamido-4-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]butanamide

2-acetamido-4-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]butanamide (PubChem CID 3577153) has the molecular formula C14H17F3N2O4S and a molecular weight of 366.36 g/mol. Its IUPAC name is 2-acetamido-4-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name2-acetamido-4-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]butanamide
PubChem CID3577153
Molecular FormulaC14H17F3N2O4S
Molecular Weight366.36 g/mol
Exact Mass366.09
IUPAC Name2-acetamido-4-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESCC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O4S/c1-9(20)18-12(6-7-24(2,22)23)13(21)19-11-5-3-4-10(8-11)14(15,16)17/h3-5,8,12H,6-7H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyUGQNYDZRHCSSGZ-UHFFFAOYSA-N
XLogP1.58
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-oxothiomorpholin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 666903
(4R)-2-(3-acetamidophenyl)-N-hexadecyl-1,3-thiazolidine-4-carboxamide
CID 23656383
S-[(6S)-7-(3-methylanilino)-7-oxo-6-[[(2S)-6-oxopiperidine-2-carbonyl]amino]heptyl] ethanethioate
CID 71534516
S-[(6S)-7-(3-methylanilino)-7-oxo-6-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]heptyl] ethanethioate
CID 71538208
S-[(6S)-7-(3-methylanilino)-7-oxo-6-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]heptyl] ethanethioate
CID 71538211
S-[(6S)-7-oxo-6-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]-7-[3-(trifluoromethyl)anilino]heptyl] ethanethioate
CID 71538473
N-Cyclohexyl-2-{cyclopentyl-[2-(p-tolylcarbamoyl-methanesulfinyl)-acetyl]-amino}-propionamide
CID 646813
N-Cyclopentyl-2-{phenyl-[2-(p-tolylcarbamoyl-methanesulfinyl)-acetyl]-amino}-propionamide
CID 651582
2-[Methanesulfonyl-(3-trifluoromethyl-phenyl)-amino]-N-(1-phenyl-ethyl)-acetamide
CID 2890670
N,N-Diethyl-2-[methanesulfonyl-(3-trifluoromethyl-phenyl)-amino]-acetamide
CID 3139192
2-[tert-butyl-[2-[2-(4-methylanilino)-2-oxoethyl]sulfinylacetyl]amino]-N-cyclohexylpropanamide
CID 3190512
N-[1-(2,3-dihydro-1H-indol-1-ylcarbonyl)-3-(methylsulfonyl)propyl]acetamide
CID 3238822

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-4-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 2-acetamido-4-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]butanamide (CID 3577153) is 2-acetamido-4-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 2-acetamido-4-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 2-acetamido-4-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]butanamide is CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-acetamido-4-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]butanamide?
The InChIKey is UGQNYDZRHCSSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O4S/c1-9(20)18-12(6-7-24(2,22)23)13(21)19-11-5-3-4-10(8-11)14(15,16)17/h3-5,8,12H,6-7H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2-acetamido-4-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]butanamide?
2-acetamido-4-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]butanamide has a molecular weight of 366.36 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-4-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 3577153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).