N-[(2-ethoxyphenyl)methyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide

C24H26N2O5S — CID 53280039

IUPACN-[(2-ethoxyphenyl)methyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
SMILESCCOc1ccccc1CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H26N2O5S/c1-4-31-23-8-6-5-7-19(23)17-25-24(27)18-9-11-20(12-10-18)26(2)32(28,29)22-15-13-21(30-3)14-16-22/h5-16H,4,17H2,1-3H3,(H,25,27)
InChIKeyIPVQSGJQSANUPH-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.85
Rot. Bonds9

About N-[(2-ethoxyphenyl)methyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide

N-[(2-ethoxyphenyl)methyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide (PubChem CID 53280039) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
PubChem CID53280039
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC NameN-[(2-ethoxyphenyl)methyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
SMILESCCOc1ccccc1CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H26N2O5S/c1-4-31-23-8-6-5-7-19(23)17-25-24(27)18-9-11-20(12-10-18)26(2)32(28,29)22-15-13-21(30-3)14-16-22/h5-16H,4,17H2,1-3H3,(H,25,27)
InChIKeyIPVQSGJQSANUPH-UHFFFAOYSA-N
XLogP3.85
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 1305730
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]benzamide
CID 2966457
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(2-methoxyphenyl)methyl]acetamide
CID 55328930
N-[(2-methoxyphenyl)methyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 951576
4-[methoxy(methyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 8927243
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 125052451
4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(3-methoxypropyl)benzamide
CID 2224678
4-[ethyl(phenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 2364863
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26775955
N-[(2-ethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 38009470
N-[(2-methoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2713335
(2R)-N-[(2-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 92677455

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide (CID 53280039) is N-[(2-ethoxyphenyl)methyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide is CCOc1ccccc1CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
The InChIKey is IPVQSGJQSANUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-4-31-23-8-6-5-7-19(23)17-25-24(27)18-9-11-20(12-10-18)26(2)32(28,29)22-15-13-21(30-3)14-16-22/h5-16H,4,17H2,1-3H3,(H,25,27).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
N-[(2-ethoxyphenyl)methyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide has a molecular weight of 454.55 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide is sourced from PubChem (CID 53280039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).