3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide

C29H28N2O5S — CID 2458949

IUPAC3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide
SMILESCCOc1ccccc1NC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2OC)c1
InChIInChI=1S/C29H28N2O5S/c1-3-36-27-18-9-7-16-25(27)30-29(32)23-14-11-15-24(20-23)37(33,34)31(21-22-12-5-4-6-13-22)26-17-8-10-19-28(26)35-2/h4-20H,3,21H2,1-2H3,(H,30,32)
InChIKeyIZVXWMPIKDOEGQ-UHFFFAOYSA-N
MW516.62 g/mol
LogP5.74
Rot. Bonds10

About 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide

3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide (PubChem CID 2458949) has the molecular formula C29H28N2O5S and a molecular weight of 516.62 g/mol. Its IUPAC name is 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide
PubChem CID2458949
Molecular FormulaC29H28N2O5S
Molecular Weight516.62 g/mol
Exact Mass516.17
IUPAC Name3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide
SMILESCCOc1ccccc1NC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2OC)c1
InChIInChI=1S/C29H28N2O5S/c1-3-36-27-18-9-7-16-25(27)30-29(32)23-14-11-15-24(20-23)37(33,34)31(21-22-12-5-4-6-13-22)26-17-8-10-19-28(26)35-2/h4-20H,3,21H2,1-2H3,(H,30,32)
InChIKeyIZVXWMPIKDOEGQ-UHFFFAOYSA-N
XLogP5.74
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.62
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Cyclopropanesulfonamido)-N-(2-ethoxyphenyl)benzamide
CID 71598556
N-(2-methoxyphenyl)-2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]diselanyl]benzamide
CID 13673587
N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
3-(Benzyl(2-methoxyphenyl)sulfamoyl)benzoic acid
CID 2396426
N-(3-(4-fluorophenylsulfonamido)-4-methoxyphenyl)-[1,1'-biphenyl]-4-carboxamide
CID 5020799
Sulfonamide-01
CID 11532283
N-(2-methoxy-5-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}phenyl)benzamide
CID 2987883
3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(2-methoxyphenyl)propanamide
CID 1317129
N-(3,5-dimethoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2116569
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide
CID 2397168
N-(2-ethoxyphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 2463208
Ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate
CID 2513657

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide?
The IUPAC name of 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide (CID 2458949) is 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide.
What is the SMILES notation for 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide?
The canonical SMILES for 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide is CCOc1ccccc1NC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2OC)c1.
What is the InChIKey of 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide?
The InChIKey is IZVXWMPIKDOEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O5S/c1-3-36-27-18-9-7-16-25(27)30-29(32)23-14-11-15-24(20-23)37(33,34)31(21-22-12-5-4-6-13-22)26-17-8-10-19-28(26)35-2/h4-20H,3,21H2,1-2H3,(H,30,32).
What are the key properties of 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide?
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide has a molecular weight of 516.62 g/mol, XLogP of 5.74, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide is sourced from PubChem (CID 2458949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).