N-[(4-methoxyphenyl)methyl]-4-[(N-methylsulfonylanilino)methyl]benzamide

C23H24N2O4S — CID 1118173

IUPACN-[(4-methoxyphenyl)methyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-29-22-14-10-18(11-15-22)16-24-23(26)20-12-8-19(9-13-20)17-25(30(2,27)28)21-6-4-3-5-7-21/h3-15H,16-17H2,1-2H3,(H,24,26)
InChIKeyFAKHERIKZWZWJP-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.59
Rot. Bonds8

About N-[(4-methoxyphenyl)methyl]-4-[(N-methylsulfonylanilino)methyl]benzamide

N-[(4-methoxyphenyl)methyl]-4-[(N-methylsulfonylanilino)methyl]benzamide (PubChem CID 1118173) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-[(N-methylsulfonylanilino)methyl]benzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
PubChem CID1118173
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-29-22-14-10-18(11-15-22)16-24-23(26)20-12-8-19(9-13-20)17-25(30(2,27)28)21-6-4-3-5-7-21/h3-15H,16-17H2,1-2H3,(H,24,26)
InChIKeyFAKHERIKZWZWJP-UHFFFAOYSA-N
XLogP3.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126184390
4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 53282579
4-[ethyl(phenyl)sulfamoyl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 2093106
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
CID 30128830
4-[(N-methylsulfonylanilino)methyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767156
4-[(N-methylsulfonylanilino)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 1107721
N-(2-methylpropyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1106193
N-(furan-2-ylmethyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1107707
4-[ethyl(ethylsulfonyl)amino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 53289319
4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 38017941
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 53280554
4-[[N-(benzenesulfonyl)anilino]methyl]-N-benzylbenzamide
CID 1100953

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-[(N-methylsulfonylanilino)methyl]benzamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-[(N-methylsulfonylanilino)methyl]benzamide (CID 1118173) is N-[(4-methoxyphenyl)methyl]-4-[(N-methylsulfonylanilino)methyl]benzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-[(N-methylsulfonylanilino)methyl]benzamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-[(N-methylsulfonylanilino)methyl]benzamide is COc1ccc(CNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-[(N-methylsulfonylanilino)methyl]benzamide?
The InChIKey is FAKHERIKZWZWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-29-22-14-10-18(11-15-22)16-24-23(26)20-12-8-19(9-13-20)17-25(30(2,27)28)21-6-4-3-5-7-21/h3-15H,16-17H2,1-2H3,(H,24,26).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-[(N-methylsulfonylanilino)methyl]benzamide?
N-[(4-methoxyphenyl)methyl]-4-[(N-methylsulfonylanilino)methyl]benzamide has a molecular weight of 424.52 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-[(N-methylsulfonylanilino)methyl]benzamide is sourced from PubChem (CID 1118173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).