N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-propylsulfonylbenzamide

C24H26N2O5S — CID 55964647

IUPACN-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(OCc2ccncc2)c(OC)c1
InChIInChI=1S/C24H26N2O5S/c1-3-14-32(28,29)23-7-5-4-6-20(23)24(27)26-16-19-8-9-21(22(15-19)30-2)31-17-18-10-12-25-13-11-18/h4-13,15H,3,14,16-17H2,1-2H3,(H,26,27)
InChIKeyPPGJLHODJHCSKI-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.78
Rot. Bonds10

About N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-propylsulfonylbenzamide

N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-propylsulfonylbenzamide (PubChem CID 55964647) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-propylsulfonylbenzamide.

Molecular Properties

Compound NameN-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-propylsulfonylbenzamide
PubChem CID55964647
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC NameN-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(OCc2ccncc2)c(OC)c1
InChIInChI=1S/C24H26N2O5S/c1-3-14-32(28,29)23-7-5-4-6-20(23)24(27)26-16-19-8-9-21(22(15-19)30-2)31-17-18-10-12-25-13-11-18/h4-13,15H,3,14,16-17H2,1-2H3,(H,26,27)
InChIKeyPPGJLHODJHCSKI-UHFFFAOYSA-N
XLogP3.78
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-propylsulfonylbenzamide 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

2-(4-methoxyanilino)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
CID 55844320
N-[2-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55843532
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-4-(methoxysulfamoyl)benzamide
CID 55843428
N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfonylbenzamide
CID 51143121
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-indazole-7-carboxamide
CID 47057863
3-ethoxy-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
CID 55912136
4-chloro-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
CID 55745020
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]thiophene-3-carboxamide
CID 47042626
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoline-5-carboxamide
CID 26031383
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 39971450
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-(4-phenoxyphenoxy)acetamide
CID 55845333

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-propylsulfonylbenzamide?
The IUPAC name of N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-propylsulfonylbenzamide (CID 55964647) is N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-propylsulfonylbenzamide.
What is the SMILES notation for N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-propylsulfonylbenzamide?
The canonical SMILES for N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-propylsulfonylbenzamide is CCCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(OCc2ccncc2)c(OC)c1.
What is the InChIKey of N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-propylsulfonylbenzamide?
The InChIKey is PPGJLHODJHCSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-3-14-32(28,29)23-7-5-4-6-20(23)24(27)26-16-19-8-9-21(22(15-19)30-2)31-17-18-10-12-25-13-11-18/h4-13,15H,3,14,16-17H2,1-2H3,(H,26,27).
What are the key properties of N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-propylsulfonylbenzamide?
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-propylsulfonylbenzamide has a molecular weight of 454.55 g/mol, XLogP of 3.78, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-propylsulfonylbenzamide is sourced from PubChem (CID 55964647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).