N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide

C23H23NO4S — CID 6456700

IUPACN-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H23NO4S/c1-3-28-22-7-5-4-6-21(22)24-23(25)19-12-10-18(11-13-19)16-29(26,27)20-14-8-17(2)9-15-20/h4-15H,3,16H2,1-2H3,(H,24,25)
InChIKeyJJJROVSKKVJDRN-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.62
Rot. Bonds7

About N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide

N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide (PubChem CID 6456700) has the molecular formula C23H23NO4S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide
PubChem CID6456700
Molecular FormulaC23H23NO4S
Molecular Weight409.51 g/mol
Exact Mass409.13
IUPAC NameN-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H23NO4S/c1-3-28-22-7-5-4-6-21(22)24-23(25)19-12-10-18(11-13-19)16-29(26,27)20-14-8-17(2)9-15-20/h4-15H,3,16H2,1-2H3,(H,24,25)
InChIKeyJJJROVSKKVJDRN-UHFFFAOYSA-N
XLogP4.62
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 1260786
4-(difluoromethylsulfonyl)-N-(2-ethoxyphenyl)benzamide
CID 2590897
5-(benzenesulfonylmethyl)-N-(2-ethoxyphenyl)furan-2-carboxamide
CID 26736329
N-(2-benzamidophenyl)-4-(benzenesulfonylmethyl)benzamide
CID 55934258
4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 30843274
N-[(2-ethoxyphenyl)carbamothioyl]-4-methylbenzamide
CID 1226913
N-[2-(4-ethoxyphenoxy)phenyl]-4-methylbenzamide
CID 7925397
4-ethyl-N'-[4-[(4-methylphenyl)sulfonylmethyl]benzoyl]benzohydrazide
CID 78888892
N-(2-ethoxyphenyl)-2-(4-methylphenyl)-2-oxoacetamide
CID 94291772
4-(2-amino-2-sulfanylideneethyl)-N-(2-ethoxyphenyl)benzamide
CID 94806353
N-(2-ethoxyphenyl)-4-formylbenzamide
CID 134025431
N-(2-ethoxyphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 650265

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide?
The IUPAC name of N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide (CID 6456700) is N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide is CCOc1ccccc1NC(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide?
The InChIKey is JJJROVSKKVJDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4S/c1-3-28-22-7-5-4-6-21(22)24-23(25)19-12-10-18(11-13-19)16-29(26,27)20-14-8-17(2)9-15-20/h4-15H,3,16H2,1-2H3,(H,24,25).
What are the key properties of N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide?
N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide has a molecular weight of 409.51 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide is sourced from PubChem (CID 6456700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).