4-[2-(4-methoxy-3-methyl-2-pyridinyl)ethylsulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide

C23H23F3N4O4S — CID 69185432

IUPAC4-[2-(4-methoxy-3-methyl-2-pyridinyl)ethylsulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
SMILESCOc1ccnc(CCS(=O)(=O)Nc2ccc(C(=O)NCc3ccc(C(F)(F)F)nc3)cc2)c1C
InChIInChI=1S/C23H23F3N4O4S/c1-15-19(27-11-9-20(15)34-2)10-12-35(32,33)30-18-6-4-17(5-7-18)22(31)29-14-16-3-8-21(28-13-16)23(24,25)26/h3-9,11,13,30H,10,12,14H2,1-2H3,(H,29,31)
InChIKeyBDEHBZWYTMWQHG-UHFFFAOYSA-N
MW508.52 g/mol
LogP3.73
Rot. Bonds9

About 4-[2-(4-methoxy-3-methyl-2-pyridinyl)ethylsulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide

4-[2-(4-methoxy-3-methyl-2-pyridinyl)ethylsulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide (PubChem CID 69185432) has the molecular formula C23H23F3N4O4S and a molecular weight of 508.52 g/mol. Its IUPAC name is 4-[2-(4-methoxy-3-methyl-2-pyridinyl)ethylsulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name4-[2-(4-methoxy-3-methyl-2-pyridinyl)ethylsulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
PubChem CID69185432
Molecular FormulaC23H23F3N4O4S
Molecular Weight508.52 g/mol
Exact Mass508.14
IUPAC Name4-[2-(4-methoxy-3-methyl-2-pyridinyl)ethylsulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
SMILESCOc1ccnc(CCS(=O)(=O)Nc2ccc(C(=O)NCc3ccc(C(F)(F)F)nc3)cc2)c1C
InChIInChI=1S/C23H23F3N4O4S/c1-15-19(27-11-9-20(15)34-2)10-12-35(32,33)30-18-6-4-17(5-7-18)22(31)29-14-16-3-8-21(28-13-16)23(24,25)26/h3-9,11,13,30H,10,12,14H2,1-2H3,(H,29,31)
InChIKeyBDEHBZWYTMWQHG-UHFFFAOYSA-N
XLogP3.73
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.52
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-(4-methoxy-3-methyl-2-pyridinyl)ethylsulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]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 4-[2-(4-methoxy-3-methyl-2-pyridinyl)ethylsulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 4-[2-(4-methoxy-3-methyl-2-pyridinyl)ethylsulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide (CID 69185432) is 4-[2-(4-methoxy-3-methyl-2-pyridinyl)ethylsulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 4-[2-(4-methoxy-3-methyl-2-pyridinyl)ethylsulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 4-[2-(4-methoxy-3-methyl-2-pyridinyl)ethylsulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide is COc1ccnc(CCS(=O)(=O)Nc2ccc(C(=O)NCc3ccc(C(F)(F)F)nc3)cc2)c1C.
What is the InChIKey of 4-[2-(4-methoxy-3-methyl-2-pyridinyl)ethylsulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide?
The InChIKey is BDEHBZWYTMWQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O4S/c1-15-19(27-11-9-20(15)34-2)10-12-35(32,33)30-18-6-4-17(5-7-18)22(31)29-14-16-3-8-21(28-13-16)23(24,25)26/h3-9,11,13,30H,10,12,14H2,1-2H3,(H,29,31).
What are the key properties of 4-[2-(4-methoxy-3-methyl-2-pyridinyl)ethylsulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide?
4-[2-(4-methoxy-3-methyl-2-pyridinyl)ethylsulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide has a molecular weight of 508.52 g/mol, XLogP of 3.73, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxy-3-methyl-2-pyridinyl)ethylsulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 69185432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).