4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(8-methylquinolin-5-yl)benzamide

C25H23N3O4S — CID 38277483

IUPAC4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(8-methylquinolin-5-yl)benzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C)c3ncccc23)cc1
InChIInChI=1S/C25H23N3O4S/c1-17-10-15-21(20-7-6-16-26-24(17)20)27-25(29)18-11-13-19(14-12-18)33(30,31)28(2)22-8-4-5-9-23(22)32-3/h4-16H,1-3H3,(H,27,29)
InChIKeyWTAHCYRJKPLQKJ-UHFFFAOYSA-N
MW461.54 g/mol
LogP4.63
Rot. Bonds6

About 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(8-methylquinolin-5-yl)benzamide

4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(8-methylquinolin-5-yl)benzamide (PubChem CID 38277483) has the molecular formula C25H23N3O4S and a molecular weight of 461.54 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(8-methylquinolin-5-yl)benzamide.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(8-methylquinolin-5-yl)benzamide
PubChem CID38277483
Molecular FormulaC25H23N3O4S
Molecular Weight461.54 g/mol
Exact Mass461.14
IUPAC Name4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(8-methylquinolin-5-yl)benzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C)c3ncccc23)cc1
InChIInChI=1S/C25H23N3O4S/c1-17-10-15-21(20-7-6-16-26-24(17)20)27-25(29)18-11-13-19(14-12-18)33(30,31)28(2)22-8-4-5-9-23(22)32-3/h4-16H,1-3H3,(H,27,29)
InChIKeyWTAHCYRJKPLQKJ-UHFFFAOYSA-N
XLogP4.63
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-methylphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 24513051
N-methoxy-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 17476225
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4846894
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837936
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide
CID 39260069
4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide
CID 24661370
4-[(2-methoxyphenyl)sulfamoyl]-N-quinolin-8-ylbenzamide
CID 31321858
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(8-methylquinolin-5-yl)benzamide
CID 38267137
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[3-(methylamino)propyl]benzamide
CID 119433863
N-(cyclopropylmethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 34821290
N-(2-methoxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 1312611
N-(3-aminopropyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide;hydrochloride
CID 119408674

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(8-methylquinolin-5-yl)benzamide?
The IUPAC name of 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(8-methylquinolin-5-yl)benzamide (CID 38277483) is 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(8-methylquinolin-5-yl)benzamide.
What is the SMILES notation for 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(8-methylquinolin-5-yl)benzamide?
The canonical SMILES for 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(8-methylquinolin-5-yl)benzamide is COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C)c3ncccc23)cc1.
What is the InChIKey of 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(8-methylquinolin-5-yl)benzamide?
The InChIKey is WTAHCYRJKPLQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4S/c1-17-10-15-21(20-7-6-16-26-24(17)20)27-25(29)18-11-13-19(14-12-18)33(30,31)28(2)22-8-4-5-9-23(22)32-3/h4-16H,1-3H3,(H,27,29).
What are the key properties of 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(8-methylquinolin-5-yl)benzamide?
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(8-methylquinolin-5-yl)benzamide has a molecular weight of 461.54 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(8-methylquinolin-5-yl)benzamide is sourced from PubChem (CID 38277483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).