2-ethylsulfanyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide

C17H15F3N2O2S — CID 18168717

IUPAC2-ethylsulfanyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
SMILESCCSc1ccccc1C(=O)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H15F3N2O2S/c1-2-25-13-6-4-3-5-10(13)17(24)21-9-14(23)22-12-8-7-11(18)15(19)16(12)20/h3-8H,2,9H2,1H3,(H,21,24)(H,22,23)
InChIKeyLPSPQHSLTDCEQM-UHFFFAOYSA-N
MW368.38 g/mol
LogP3.58
Rot. Bonds6

About 2-ethylsulfanyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide

2-ethylsulfanyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide (PubChem CID 18168717) has the molecular formula C17H15F3N2O2S and a molecular weight of 368.38 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
PubChem CID18168717
Molecular FormulaC17H15F3N2O2S
Molecular Weight368.38 g/mol
Exact Mass368.08
IUPAC Name2-ethylsulfanyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
SMILESCCSc1ccccc1C(=O)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H15F3N2O2S/c1-2-25-13-6-4-3-5-10(13)17(24)21-9-14(23)22-12-8-7-11(18)15(19)16(12)20/h3-8H,2,9H2,1H3,(H,21,24)(H,22,23)
InChIKeyLPSPQHSLTDCEQM-UHFFFAOYSA-N
XLogP3.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethylsulfanyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide 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

[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-ethylsulfanylbenzoate
CID 8658611
2-(4-bromobenzoyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 55533610
2-methyl-3-nitro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 7677590
N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-fluorobenzamide
CID 26682013
3-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 2113466
2-[1-(2-fluorophenyl)ethylsulfanyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 49154304
N-[2-(ethylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methylsulfanyl]benzamide
CID 9489358
2-(2-methylpropylcarbamoylamino)-N-(2,3,4-trifluorophenyl)acetamide
CID 41468828
2-(cyclopropylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 9461038
2-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide;hydrochloride
CID 119268558
N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
CID 28577649
2-(cyclopropylamino)-N-(2,3,4-trifluorophenyl)acetamide
CID 60647160

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
The IUPAC name of 2-ethylsulfanyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide (CID 18168717) is 2-ethylsulfanyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide is CCSc1ccccc1C(=O)NCC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-ethylsulfanyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
The InChIKey is LPSPQHSLTDCEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2S/c1-2-25-13-6-4-3-5-10(13)17(24)21-9-14(23)22-12-8-7-11(18)15(19)16(12)20/h3-8H,2,9H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-ethylsulfanyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
2-ethylsulfanyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide has a molecular weight of 368.38 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide is sourced from PubChem (CID 18168717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).