2-[(2-methoxybenzoyl)amino]-N-[3-(trifluoromethylsulfanyl)phenyl]benzamide

C22H17F3N2O3S — CID 56593315

IUPAC2-[(2-methoxybenzoyl)amino]-N-[3-(trifluoromethylsulfanyl)phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(SC(F)(F)F)c1
InChIInChI=1S/C22H17F3N2O3S/c1-30-19-12-5-3-10-17(19)21(29)27-18-11-4-2-9-16(18)20(28)26-14-7-6-8-15(13-14)31-22(23,24)25/h2-13H,1H3,(H,26,28)(H,27,29)
InChIKeyWKMAMLDILPQFKC-UHFFFAOYSA-N
MW446.45 g/mol
LogP5.81
Rot. Bonds6

About 2-[(2-methoxybenzoyl)amino]-N-[3-(trifluoromethylsulfanyl)phenyl]benzamide

2-[(2-methoxybenzoyl)amino]-N-[3-(trifluoromethylsulfanyl)phenyl]benzamide (PubChem CID 56593315) has the molecular formula C22H17F3N2O3S and a molecular weight of 446.45 g/mol. Its IUPAC name is 2-[(2-methoxybenzoyl)amino]-N-[3-(trifluoromethylsulfanyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[(2-methoxybenzoyl)amino]-N-[3-(trifluoromethylsulfanyl)phenyl]benzamide
PubChem CID56593315
Molecular FormulaC22H17F3N2O3S
Molecular Weight446.45 g/mol
Exact Mass446.09
IUPAC Name2-[(2-methoxybenzoyl)amino]-N-[3-(trifluoromethylsulfanyl)phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(SC(F)(F)F)c1
InChIInChI=1S/C22H17F3N2O3S/c1-30-19-12-5-3-10-17(19)21(29)27-18-11-4-2-9-16(18)20(28)26-14-7-6-8-15(13-14)31-22(23,24)25/h2-13H,1H3,(H,26,28)(H,27,29)
InChIKeyWKMAMLDILPQFKC-UHFFFAOYSA-N
XLogP5.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.45
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-methoxybenzoyl)amino]-N-[3-(trifluoromethylsulfanyl)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

ML290
CID 56593349
2-methoxy-N-(4-methylphenyl)-4-(methylthio)benzamide
CID 842272
2,6-dimethoxy-N-(2-phenylsulfanylphenyl)benzamide
CID 1007805
2-[(2-Ethoxybenzoyl)amino]benzamide
CID 673608
N-(3-(3-methylbenzamido)phenyl)-2-(trifluoromethoxy)benzamide
CID 50919320
N-[3-(butanoylamino)phenyl]-2-(trifluoromethoxy)benzamide
CID 50910535
2-(2,2,2-Trifluoroethoxy)-N-(2-((3-((trifluoromethyl)sulfonyl)phenyl)carbamoyl)phenyl)benzamide
CID 56593305
2-Methoxy-N-(2-((3-((trifluoromethyl)sulfonyl)phenyl)carbamoyl)phenyl)benzamide
CID 56593314
2-Propoxy-N-(2-((3-((trifluoromethyl)sulfonyl)phenyl)carbamoyl)phenyl)benzamide
CID 56593316
2-[[2-(2-methoxyethoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 56593320
2-Butoxy-N-(2-((3-((trifluoromethyl)sulfonyl)phenyl)carbamoyl)phenyl)benzamide
CID 56593322
2-Methoxy-N-(2-((3-(trifluoromethyl)phenyl)carbamoyl)phenyl)benzamide
CID 56593329

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxybenzoyl)amino]-N-[3-(trifluoromethylsulfanyl)phenyl]benzamide?
The IUPAC name of 2-[(2-methoxybenzoyl)amino]-N-[3-(trifluoromethylsulfanyl)phenyl]benzamide (CID 56593315) is 2-[(2-methoxybenzoyl)amino]-N-[3-(trifluoromethylsulfanyl)phenyl]benzamide.
What is the SMILES notation for 2-[(2-methoxybenzoyl)amino]-N-[3-(trifluoromethylsulfanyl)phenyl]benzamide?
The canonical SMILES for 2-[(2-methoxybenzoyl)amino]-N-[3-(trifluoromethylsulfanyl)phenyl]benzamide is COc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(SC(F)(F)F)c1.
What is the InChIKey of 2-[(2-methoxybenzoyl)amino]-N-[3-(trifluoromethylsulfanyl)phenyl]benzamide?
The InChIKey is WKMAMLDILPQFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O3S/c1-30-19-12-5-3-10-17(19)21(29)27-18-11-4-2-9-16(18)20(28)26-14-7-6-8-15(13-14)31-22(23,24)25/h2-13H,1H3,(H,26,28)(H,27,29).
What are the key properties of 2-[(2-methoxybenzoyl)amino]-N-[3-(trifluoromethylsulfanyl)phenyl]benzamide?
2-[(2-methoxybenzoyl)amino]-N-[3-(trifluoromethylsulfanyl)phenyl]benzamide has a molecular weight of 446.45 g/mol, XLogP of 5.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxybenzoyl)amino]-N-[3-(trifluoromethylsulfanyl)phenyl]benzamide is sourced from PubChem (CID 56593315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).