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

C23H19F3N2O4S2 — CID 56593341

IUPAC2-[(2-ethylsulfanylbenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide
SMILESCCSc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1
InChIInChI=1S/C23H19F3N2O4S2/c1-2-33-20-13-6-4-11-18(20)22(30)28-19-12-5-3-10-17(19)21(29)27-15-8-7-9-16(14-15)34(31,32)23(24,25)26/h3-14H,2H2,1H3,(H,27,29)(H,28,30)
InChIKeyXYPPDWVHCXDHKJ-UHFFFAOYSA-N
MW508.54 g/mol
LogP5.60
Rot. Bonds7

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

2-[(2-ethylsulfanylbenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide (PubChem CID 56593341) has the molecular formula C23H19F3N2O4S2 and a molecular weight of 508.54 g/mol. Its IUPAC name is 2-[(2-ethylsulfanylbenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[(2-ethylsulfanylbenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide
PubChem CID56593341
Molecular FormulaC23H19F3N2O4S2
Molecular Weight508.54 g/mol
Exact Mass508.07
IUPAC Name2-[(2-ethylsulfanylbenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide
SMILESCCSc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1
InChIInChI=1S/C23H19F3N2O4S2/c1-2-33-20-13-6-4-11-18(20)22(30)28-19-12-5-3-10-17(19)21(29)27-15-8-7-9-16(14-15)34(31,32)23(24,25)26/h3-14H,2H2,1H3,(H,27,29)(H,28,30)
InChIKeyXYPPDWVHCXDHKJ-UHFFFAOYSA-N
XLogP5.60
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.54
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-ethylsulfanylbenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)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

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylsulfanylbenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide?
The IUPAC name of 2-[(2-ethylsulfanylbenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide (CID 56593341) is 2-[(2-ethylsulfanylbenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide.
What is the SMILES notation for 2-[(2-ethylsulfanylbenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide?
The canonical SMILES for 2-[(2-ethylsulfanylbenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide is CCSc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1.
What is the InChIKey of 2-[(2-ethylsulfanylbenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide?
The InChIKey is XYPPDWVHCXDHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O4S2/c1-2-33-20-13-6-4-11-18(20)22(30)28-19-12-5-3-10-17(19)21(29)27-15-8-7-9-16(14-15)34(31,32)23(24,25)26/h3-14H,2H2,1H3,(H,27,29)(H,28,30).
What are the key properties of 2-[(2-ethylsulfanylbenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide?
2-[(2-ethylsulfanylbenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide has a molecular weight of 508.54 g/mol, XLogP of 5.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylsulfanylbenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide is sourced from PubChem (CID 56593341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).