3-[methyl(phenyl)sulfamoyl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide

C27H25N3O4S — CID 55901885

IUPAC3-[methyl(phenyl)sulfamoyl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCc2ccc(OCc3ccccn3)cc2)c1
InChIInChI=1S/C27H25N3O4S/c1-30(24-10-3-2-4-11-24)35(32,33)26-12-7-8-22(18-26)27(31)29-19-21-13-15-25(16-14-21)34-20-23-9-5-6-17-28-23/h2-18H,19-20H2,1H3,(H,29,31)
InChIKeyZDPDXEQBORXOCA-UHFFFAOYSA-N
MW487.58 g/mol
LogP4.42
Rot. Bonds9

About 3-[methyl(phenyl)sulfamoyl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide

3-[methyl(phenyl)sulfamoyl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide (PubChem CID 55901885) has the molecular formula C27H25N3O4S and a molecular weight of 487.58 g/mol. Its IUPAC name is 3-[methyl(phenyl)sulfamoyl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-[methyl(phenyl)sulfamoyl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
PubChem CID55901885
Molecular FormulaC27H25N3O4S
Molecular Weight487.58 g/mol
Exact Mass487.16
IUPAC Name3-[methyl(phenyl)sulfamoyl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCc2ccc(OCc3ccccn3)cc2)c1
InChIInChI=1S/C27H25N3O4S/c1-30(24-10-3-2-4-11-24)35(32,33)26-12-7-8-22(18-26)27(31)29-19-21-13-15-25(16-14-21)34-20-23-9-5-6-17-28-23/h2-18H,19-20H2,1H3,(H,29,31)
InChIKeyZDPDXEQBORXOCA-UHFFFAOYSA-N
XLogP4.42
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(dimethylsulfamoyl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55902266
3-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 26591232
4-chloro-3-(diethylsulfamoyl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55902520
N-[(2,5-dimethoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 92844931
3,4-dichloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 60534147
N-[(2-methoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2713335
N-(pyridin-4-ylmethyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064781
4-(methylsulfanylmethyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55709365
N-[(3-acetamidophenyl)methyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 55688761
3-[methyl-(4-methylphenyl)sulfamoyl]-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 38448547
3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 2572195
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 55575626

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(phenyl)sulfamoyl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide?
The IUPAC name of 3-[methyl(phenyl)sulfamoyl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide (CID 55901885) is 3-[methyl(phenyl)sulfamoyl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 3-[methyl(phenyl)sulfamoyl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 3-[methyl(phenyl)sulfamoyl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCc2ccc(OCc3ccccn3)cc2)c1.
What is the InChIKey of 3-[methyl(phenyl)sulfamoyl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide?
The InChIKey is ZDPDXEQBORXOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4S/c1-30(24-10-3-2-4-11-24)35(32,33)26-12-7-8-22(18-26)27(31)29-19-21-13-15-25(16-14-21)34-20-23-9-5-6-17-28-23/h2-18H,19-20H2,1H3,(H,29,31).
What are the key properties of 3-[methyl(phenyl)sulfamoyl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide?
3-[methyl(phenyl)sulfamoyl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide has a molecular weight of 487.58 g/mol, XLogP of 4.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(phenyl)sulfamoyl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 55901885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).