N-[[4-(methoxymethyl)phenyl]methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

C24H26N2O4S — CID 55615012

IUPACN-[[4-(methoxymethyl)phenyl]methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCOCc1ccc(CNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C24H26N2O4S/c1-18-4-14-23(15-5-18)31(28,29)26(2)22-12-10-21(11-13-22)24(27)25-16-19-6-8-20(9-7-19)17-30-3/h4-15H,16-17H2,1-3H3,(H,25,27)
InChIKeyCFWBGJLTJVZPCY-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.90
Rot. Bonds8

About N-[[4-(methoxymethyl)phenyl]methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

N-[[4-(methoxymethyl)phenyl]methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 55615012) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)phenyl]methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)phenyl]methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
PubChem CID55615012
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC NameN-[[4-(methoxymethyl)phenyl]methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCOCc1ccc(CNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C24H26N2O4S/c1-18-4-14-23(15-5-18)31(28,29)26(2)22-12-10-21(11-13-22)24(27)25-16-19-6-8-20(9-7-19)17-30-3/h4-15H,16-17H2,1-3H3,(H,25,27)
InChIKeyCFWBGJLTJVZPCY-UHFFFAOYSA-N
XLogP3.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 26912045
N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801142
4-[ethylsulfonyl(methyl)amino]-N-[(4-methylphenyl)methyl]benzamide
CID 21368424
N-[(2-methoxyphenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 1305730
N-[(5-ethylthiophen-2-yl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 46475822
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
methyl 4-[[methyl-[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]methyl]benzoate
CID 37417742
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 47079264
2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26119216
N-[(4-fluorophenyl)methyl]-5-[methyl-(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide
CID 50795493
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylbenzamide
CID 108758979
4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride
CID 98622583

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (CID 55615012) is N-[[4-(methoxymethyl)phenyl]methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[[4-(methoxymethyl)phenyl]methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[[4-(methoxymethyl)phenyl]methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is COCc1ccc(CNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of N-[[4-(methoxymethyl)phenyl]methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is CFWBGJLTJVZPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-18-4-14-23(15-5-18)31(28,29)26(2)22-12-10-21(11-13-22)24(27)25-16-19-6-8-20(9-7-19)17-30-3/h4-15H,16-17H2,1-3H3,(H,25,27).
What are the key properties of N-[[4-(methoxymethyl)phenyl]methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
N-[[4-(methoxymethyl)phenyl]methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 438.55 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)phenyl]methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 55615012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).