3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide

C27H25N3O4S — CID 24982454

IUPAC3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
SMILESCOc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cn2)c1
InChIInChI=1S/C27H25N3O4S/c1-20-15-16-26(28-18-20)29-27(31)22-11-8-12-23(17-22)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)
InChIKeyPUXCJJREQUIGJM-UHFFFAOYSA-N
MW487.58 g/mol
LogP5.05
Rot. Bonds8

About 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide

3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide (PubChem CID 24982454) has the molecular formula C27H25N3O4S and a molecular weight of 487.58 g/mol. Its IUPAC name is 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
PubChem CID24982454
Molecular FormulaC27H25N3O4S
Molecular Weight487.58 g/mol
Exact Mass487.16
IUPAC Name3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
SMILESCOc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cn2)c1
InChIInChI=1S/C27H25N3O4S/c1-20-15-16-26(28-18-20)29-27(31)22-11-8-12-23(17-22)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)
InChIKeyPUXCJJREQUIGJM-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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Related Compounds

3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide
CID 30160867
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 2079702
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(2,5-dimethoxyphenyl)benzamide
CID 2469146
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-[4-(diethylamino)phenyl]benzamide
CID 2433943
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 4832234
phenyl 3-[benzyl-(2-methoxyphenyl)sulfamoyl]benzoate
CID 2668410
3-(diethylsulfamoyl)-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide
CID 18106773
3-[benzyl(phenyl)sulfamoyl]-N-methoxybenzamide
CID 33098006
3-[ethyl(phenyl)sulfamoyl]-N-(2-methoxyphenyl)benzamide
CID 26914975
3-[benzyl(methyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 109064674
methyl 3-[(5-methyl-2-pyridinyl)carbamoyl]benzoate
CID 108799744
3,4-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide;hydrochloride
CID 163326261

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide (CID 24982454) is 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide is COc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cn2)c1.
What is the InChIKey of 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is PUXCJJREQUIGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4S/c1-20-15-16-26(28-18-20)29-27(31)22-11-8-12-23(17-22)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-(5-methyl-2-pyridinyl)benzamide?
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(5-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-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 24982454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).