2-[1-(2-fluorophenyl)ethylsulfanyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide

C19H18F4N2O2S — CID 49154304

IUPAC2-[1-(2-fluorophenyl)ethylsulfanyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
SMILESCC(SC(C)c1ccccc1F)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C19H18F4N2O2S/c1-10(12-5-3-4-6-13(12)20)28-11(2)19(27)24-9-16(26)25-15-8-7-14(21)17(22)18(15)23/h3-8,10-11H,9H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyUBDCEWOBFLKRGT-UHFFFAOYSA-N
MW414.42 g/mol
LogP4.18
Rot. Bonds7

About 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide

2-[1-(2-fluorophenyl)ethylsulfanyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide (PubChem CID 49154304) has the molecular formula C19H18F4N2O2S and a molecular weight of 414.42 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)ethylsulfanyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
PubChem CID49154304
Molecular FormulaC19H18F4N2O2S
Molecular Weight414.42 g/mol
Exact Mass414.10
IUPAC Name2-[1-(2-fluorophenyl)ethylsulfanyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
SMILESCC(SC(C)c1ccccc1F)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C19H18F4N2O2S/c1-10(12-5-3-4-6-13(12)20)28-11(2)19(27)24-9-16(26)25-15-8-7-14(21)17(22)18(15)23/h3-8,10-11H,9H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyUBDCEWOBFLKRGT-UHFFFAOYSA-N
XLogP4.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide 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-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide;hydrochloride
CID 119268558
(2S)-2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 40942268
[(1S)-1-(2-chlorophenyl)ethyl]-[(2S)-1-oxo-1-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]propan-2-yl]azanium
CID 7999065
2-(furan-2-ylmethylsulfanyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 112781027
(2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 2515229
2-ethylsulfanyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 18168717
(2S)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanamide
CID 41131795
2-(2-methylpropylcarbamoylamino)-N-(2,3,4-trifluorophenyl)acetamide
CID 41468828
2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9034646
1-(2-propan-2-ylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892439
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 46700096
2-[2-(2-fluorophenyl)ethylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 109000255

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide?
The IUPAC name of 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide (CID 49154304) is 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide.
What is the SMILES notation for 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide?
The canonical SMILES for 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide is CC(SC(C)c1ccccc1F)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide?
The InChIKey is UBDCEWOBFLKRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N2O2S/c1-10(12-5-3-4-6-13(12)20)28-11(2)19(27)24-9-16(26)25-15-8-7-14(21)17(22)18(15)23/h3-8,10-11H,9H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide?
2-[1-(2-fluorophenyl)ethylsulfanyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide has a molecular weight of 414.42 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide is sourced from PubChem (CID 49154304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).