4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide

C22H23N3O4S — CID 2486297

IUPAC4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(C)Cc2cccnc2)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C22H23N3O4S/c1-16-6-9-19(10-7-16)24-30(27,28)21-13-18(8-11-20(21)29-3)22(26)25(2)15-17-5-4-12-23-14-17/h4-14,24H,15H2,1-3H3
InChIKeyNDYCMAQQOOCBDZ-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.47
Rot. Bonds7

About 4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide

4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 2486297) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID2486297
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(C)Cc2cccnc2)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C22H23N3O4S/c1-16-6-9-19(10-7-16)24-30(27,28)21-13-18(8-11-20(21)29-3)22(26)25(2)15-17-5-4-12-23-14-17/h4-14,24H,15H2,1-3H3
InChIKeyNDYCMAQQOOCBDZ-UHFFFAOYSA-N
XLogP3.47
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide (CID 2486297) is 4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide is COc1ccc(C(=O)N(C)Cc2cccnc2)cc1S(=O)(=O)Nc1ccc(C)cc1.
What is the InChIKey of 4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is NDYCMAQQOOCBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-16-6-9-19(10-7-16)24-30(27,28)21-13-18(8-11-20(21)29-3)22(26)25(2)15-17-5-4-12-23-14-17/h4-14,24H,15H2,1-3H3.
What are the key properties of 4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide?
4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 425.51 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 2486297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).