3-(2-amino-2-oxoethoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide

C23H23N3O6S — CID 35557182

IUPAC3-(2-amino-2-oxoethoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccc(OCC(N)=O)c3)ccc2C)cc1
InChIInChI=1S/C23H23N3O6S/c1-15-6-7-18(25-23(28)16-4-3-5-20(12-16)32-14-22(24)27)13-21(15)33(29,30)26-17-8-10-19(31-2)11-9-17/h3-13,26H,14H2,1-2H3,(H2,24,27)(H,25,28)
InChIKeyGHLTZXKLPFDQJZ-UHFFFAOYSA-N
MW469.52 g/mol
LogP2.92
Rot. Bonds9

About 3-(2-amino-2-oxoethoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide

3-(2-amino-2-oxoethoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide (PubChem CID 35557182) has the molecular formula C23H23N3O6S and a molecular weight of 469.52 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
PubChem CID35557182
Molecular FormulaC23H23N3O6S
Molecular Weight469.52 g/mol
Exact Mass469.13
IUPAC Name3-(2-amino-2-oxoethoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccc(OCC(N)=O)c3)ccc2C)cc1
InChIInChI=1S/C23H23N3O6S/c1-15-6-7-18(25-23(28)16-4-3-5-20(12-16)32-14-22(24)27)13-21(15)33(29,30)26-17-8-10-19(31-2)11-9-17/h3-13,26H,14H2,1-2H3,(H2,24,27)(H,25,28)
InChIKeyGHLTZXKLPFDQJZ-UHFFFAOYSA-N
XLogP2.92
TPSA136.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 26642497
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 1039728
3,4-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 30451320
N-(3-methoxyphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1289257
6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide
CID 26642328
3-methoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 5156929
3-chloro-4,5-dimethoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 26642074
N-(4-methyl-3-sulfamoylphenyl)-3-propoxybenzamide
CID 87002439
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylthiophene-2-carboxamide
CID 35743328
4-methoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-nitrobenzamide
CID 71904035
3-fluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 26851586
N-(3-chloro-4-methylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 55347676

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide?
The IUPAC name of 3-(2-amino-2-oxoethoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide (CID 35557182) is 3-(2-amino-2-oxoethoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide.
What is the SMILES notation for 3-(2-amino-2-oxoethoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide?
The canonical SMILES for 3-(2-amino-2-oxoethoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide is COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccc(OCC(N)=O)c3)ccc2C)cc1.
What is the InChIKey of 3-(2-amino-2-oxoethoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide?
The InChIKey is GHLTZXKLPFDQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O6S/c1-15-6-7-18(25-23(28)16-4-3-5-20(12-16)32-14-22(24)27)13-21(15)33(29,30)26-17-8-10-19(31-2)11-9-17/h3-13,26H,14H2,1-2H3,(H2,24,27)(H,25,28).
What are the key properties of 3-(2-amino-2-oxoethoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide?
3-(2-amino-2-oxoethoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide has a molecular weight of 469.52 g/mol, XLogP of 2.92, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide is sourced from PubChem (CID 35557182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).