N-(5-methyl-2-pyridinyl)-3-(4-methylsulfonylphenoxy)-5-propan-2-yloxybenzamide

C23H24N2O5S — CID 73350645

IUPACN-(5-methyl-2-pyridinyl)-3-(4-methylsulfonylphenoxy)-5-propan-2-yloxybenzamide
SMILESCc1ccc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(OC(C)C)c2)nc1
InChIInChI=1S/C23H24N2O5S/c1-15(2)29-19-11-17(23(26)25-22-10-5-16(3)14-24-22)12-20(13-19)30-18-6-8-21(9-7-18)31(4,27)28/h5-15H,1-4H3,(H,24,25,26)
InChIKeyBUICPXPKYZQWMX-UHFFFAOYSA-N
MW440.52 g/mol
LogP4.63
Rot. Bonds7

About N-(5-methyl-2-pyridinyl)-3-(4-methylsulfonylphenoxy)-5-propan-2-yloxybenzamide

N-(5-methyl-2-pyridinyl)-3-(4-methylsulfonylphenoxy)-5-propan-2-yloxybenzamide (PubChem CID 73350645) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-3-(4-methylsulfonylphenoxy)-5-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-3-(4-methylsulfonylphenoxy)-5-propan-2-yloxybenzamide
PubChem CID73350645
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC NameN-(5-methyl-2-pyridinyl)-3-(4-methylsulfonylphenoxy)-5-propan-2-yloxybenzamide
SMILESCc1ccc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(OC(C)C)c2)nc1
InChIInChI=1S/C23H24N2O5S/c1-15(2)29-19-11-17(23(26)25-22-10-5-16(3)14-24-22)12-20(13-19)30-18-6-8-21(9-7-18)31(4,27)28/h5-15H,1-4H3,(H,24,25,26)
InChIKeyBUICPXPKYZQWMX-UHFFFAOYSA-N
XLogP4.63
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-methyl-2-pyridinyl)-3-(4-methylsulfonylphenoxy)-5-propan-2-yloxybenzamide 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 N-(5-methyl-2-pyridinyl)-3-(4-methylsulfonylphenoxy)-5-propan-2-yloxybenzamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-3-(4-methylsulfonylphenoxy)-5-propan-2-yloxybenzamide (CID 73350645) is N-(5-methyl-2-pyridinyl)-3-(4-methylsulfonylphenoxy)-5-propan-2-yloxybenzamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-3-(4-methylsulfonylphenoxy)-5-propan-2-yloxybenzamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-3-(4-methylsulfonylphenoxy)-5-propan-2-yloxybenzamide is Cc1ccc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(OC(C)C)c2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-3-(4-methylsulfonylphenoxy)-5-propan-2-yloxybenzamide?
The InChIKey is BUICPXPKYZQWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-15(2)29-19-11-17(23(26)25-22-10-5-16(3)14-24-22)12-20(13-19)30-18-6-8-21(9-7-18)31(4,27)28/h5-15H,1-4H3,(H,24,25,26).
What are the key properties of N-(5-methyl-2-pyridinyl)-3-(4-methylsulfonylphenoxy)-5-propan-2-yloxybenzamide?
N-(5-methyl-2-pyridinyl)-3-(4-methylsulfonylphenoxy)-5-propan-2-yloxybenzamide has a molecular weight of 440.52 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-3-(4-methylsulfonylphenoxy)-5-propan-2-yloxybenzamide is sourced from PubChem (CID 73350645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).