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

C22H17F3N2O5S — CID 56593314

IUPAC2-[(2-methoxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1
InChIInChI=1S/C22H17F3N2O5S/c1-32-19-12-5-3-10-17(19)21(29)27-18-11-4-2-9-16(18)20(28)26-14-7-6-8-15(13-14)33(30,31)22(23,24)25/h2-13H,1H3,(H,26,28)(H,27,29)
InChIKeyHKYGEYKIJGMDPZ-UHFFFAOYSA-N
MW478.45 g/mol
LogP4.49
Rot. Bonds6

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

2-[(2-methoxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide (PubChem CID 56593314) has the molecular formula C22H17F3N2O5S and a molecular weight of 478.45 g/mol. Its IUPAC name is 2-[(2-methoxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[(2-methoxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide
PubChem CID56593314
Molecular FormulaC22H17F3N2O5S
Molecular Weight478.45 g/mol
Exact Mass478.08
IUPAC Name2-[(2-methoxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1
InChIInChI=1S/C22H17F3N2O5S/c1-32-19-12-5-3-10-17(19)21(29)27-18-11-4-2-9-16(18)20(28)26-14-7-6-8-15(13-14)33(30,31)22(23,24)25/h2-13H,1H3,(H,26,28)(H,27,29)
InChIKeyHKYGEYKIJGMDPZ-UHFFFAOYSA-N
XLogP4.49
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.45
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ML290
CID 56593349
3,5-bis(fluoranyl)-~{N}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 24639827
2-(2,2,2-Trifluoroethoxy)-N-(2-((3-((trifluoromethyl)sulfonyl)phenyl)carbamoyl)phenyl)benzamide
CID 56593305
2-Methoxy-N-(2-((3-((trifluoromethyl)thio)phenyl)carbamoyl)phenyl)benzamide
CID 56593315
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
2-Ehoxy-N-(2-((3-((trifluoromethyl)sulfonyl)phenyl)carbamoyl)phenyl)benzamide
CID 56593330
2-[(2-propan-2-yloxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 56593331
2-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 56593335
2-methoxy-N-[3-(methylsulfanyl)phenyl]benzamide
CID 900514

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide?
The IUPAC name of 2-[(2-methoxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide (CID 56593314) is 2-[(2-methoxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide.
What is the SMILES notation for 2-[(2-methoxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide?
The canonical SMILES for 2-[(2-methoxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide is COc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1.
What is the InChIKey of 2-[(2-methoxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide?
The InChIKey is HKYGEYKIJGMDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O5S/c1-32-19-12-5-3-10-17(19)21(29)27-18-11-4-2-9-16(18)20(28)26-14-7-6-8-15(13-14)33(30,31)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-(trifluoromethylsulfonyl)phenyl]benzamide?
2-[(2-methoxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide has a molecular weight of 478.45 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide is sourced from PubChem (CID 56593314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).