2-fluoro-N-[4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide

C24H20F4N2O2S — CID 55765240

IUPAC2-fluoro-N-[4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(CSCC(=O)Nc2ccc(NC(=O)c3ccccc3F)cc2C(F)(F)F)cc1
InChIInChI=1S/C24H20F4N2O2S/c1-15-6-8-16(9-7-15)13-33-14-22(31)30-21-11-10-17(12-19(21)24(26,27)28)29-23(32)18-4-2-3-5-20(18)25/h2-12H,13-14H2,1H3,(H,29,32)(H,30,31)
InChIKeyMQAFPXVTKDCQAD-UHFFFAOYSA-N
MW476.50 g/mol
LogP6.28
Rot. Bonds7

About 2-fluoro-N-[4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide

2-fluoro-N-[4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide (PubChem CID 55765240) has the molecular formula C24H20F4N2O2S and a molecular weight of 476.50 g/mol. Its IUPAC name is 2-fluoro-N-[4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide
PubChem CID55765240
Molecular FormulaC24H20F4N2O2S
Molecular Weight476.50 g/mol
Exact Mass476.12
IUPAC Name2-fluoro-N-[4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(CSCC(=O)Nc2ccc(NC(=O)c3ccccc3F)cc2C(F)(F)F)cc1
InChIInChI=1S/C24H20F4N2O2S/c1-15-6-8-16(9-7-15)13-33-14-22(31)30-21-11-10-17(12-19(21)24(26,27)28)29-23(32)18-4-2-3-5-20(18)25/h2-12H,13-14H2,1H3,(H,29,32)(H,30,31)
InChIKeyMQAFPXVTKDCQAD-UHFFFAOYSA-N
XLogP6.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.50
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-N-[4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-3-(trifluoromethyl)phenyl]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

2-fluoro-N-[4-[[4-(methylsulfanylmethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]benzamide
CID 55765716
N-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 55765741
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24583903
2-fluoro-N-[2-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]ethyl]benzamide
CID 55982413
N-[4-[[4-(diethylaminomethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 55765297
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide
CID 55765678
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 55765460
5-bromo-2-fluoro-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide
CID 55765621
N-[4-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]-2-fluorobenzamide
CID 22775332
5-bromo-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-methylfuran-2-carboxamide
CID 55776772
N-[4-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)anilino]-4-oxobutyl]thiophene-2-carboxamide
CID 55765362
N-[4-[[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 55765591

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide (CID 55765240) is 2-fluoro-N-[4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide is Cc1ccc(CSCC(=O)Nc2ccc(NC(=O)c3ccccc3F)cc2C(F)(F)F)cc1.
What is the InChIKey of 2-fluoro-N-[4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is MQAFPXVTKDCQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N2O2S/c1-15-6-8-16(9-7-15)13-33-14-22(31)30-21-11-10-17(12-19(21)24(26,27)28)29-23(32)18-4-2-3-5-20(18)25/h2-12H,13-14H2,1H3,(H,29,32)(H,30,31).
What are the key properties of 2-fluoro-N-[4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide?
2-fluoro-N-[4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 476.50 g/mol, XLogP of 6.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 55765240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).