4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide

C21H21N3O4S — CID 9414541

IUPAC4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCc2ccccn2)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C21H21N3O4S/c1-15-6-9-17(10-7-15)24-29(26,27)20-13-16(8-11-19(20)28-2)21(25)23-14-18-5-3-4-12-22-18/h3-13,24H,14H2,1-2H3,(H,23,25)
InChIKeyQAUQGVOOLCSFKD-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.13
Rot. Bonds7

About 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide

4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 9414541) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID9414541
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCc2ccccn2)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C21H21N3O4S/c1-15-6-9-17(10-7-15)24-29(26,27)20-13-16(8-11-19(20)28-2)21(25)23-14-18-5-3-4-12-22-18/h3-13,24H,14H2,1-2H3,(H,23,25)
InChIKeyQAUQGVOOLCSFKD-UHFFFAOYSA-N
XLogP3.13
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-(methylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55964388
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55396082
N-(furan-2-ylmethyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9314217
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 55348301
4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 9414636
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55415614
N-[[6-(diethylamino)-3-pyridinyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55728596
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55960480
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 17481816
3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 17466951
N-[(4-cyanophenyl)methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 46673405
2-methoxy-4,5-dimethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112982979

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide (CID 9414541) is 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide is COc1ccc(C(=O)NCc2ccccn2)cc1S(=O)(=O)Nc1ccc(C)cc1.
What is the InChIKey of 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is QAUQGVOOLCSFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-15-6-9-17(10-7-15)24-29(26,27)20-13-16(8-11-19(20)28-2)21(25)23-14-18-5-3-4-12-22-18/h3-13,24H,14H2,1-2H3,(H,23,25).
What are the key properties of 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 411.48 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 9414541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).