3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide

C27H25N3O4S — CID 24817030

IUPAC3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide
SMILESCOc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cc(C)ccn2)c1
InChIInChI=1S/C27H25N3O4S/c1-20-15-16-28-26(17-20)29-27(31)22-11-8-12-23(18-22)35(32,33)30(19-21-9-4-3-5-10-21)24-13-6-7-14-25(24)34-2/h3-18H,19H2,1-2H3,(H,28,29,31)
InChIKeyVEVMOQJBYUXRGF-UHFFFAOYSA-N
MW487.58 g/mol
LogP5.05
Rot. Bonds8

About 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide

3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide (PubChem CID 24817030) has the molecular formula C27H25N3O4S and a molecular weight of 487.58 g/mol. Its IUPAC name is 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide
PubChem CID24817030
Molecular FormulaC27H25N3O4S
Molecular Weight487.58 g/mol
Exact Mass487.16
IUPAC Name3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide
SMILESCOc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cc(C)ccn2)c1
InChIInChI=1S/C27H25N3O4S/c1-20-15-16-28-26(17-20)29-27(31)22-11-8-12-23(18-22)35(32,33)30(19-21-9-4-3-5-10-21)24-13-6-7-14-25(24)34-2/h3-18H,19H2,1-2H3,(H,28,29,31)
InChIKeyVEVMOQJBYUXRGF-UHFFFAOYSA-N
XLogP5.05
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.58
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide (CID 24817030) is 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide is COc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cc(C)ccn2)c1.
What is the InChIKey of 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide?
The InChIKey is VEVMOQJBYUXRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4S/c1-20-15-16-28-26(17-20)29-27(31)22-11-8-12-23(18-22)35(32,33)30(19-21-9-4-3-5-10-21)24-13-6-7-14-25(24)34-2/h3-18H,19H2,1-2H3,(H,28,29,31).
What are the key properties of 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide?
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide has a molecular weight of 487.58 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 24817030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).