2-[benzyl(ethyl)amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide

C24H27N3O3S — CID 25163259

IUPAC2-[benzyl(ethyl)amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
SMILESCCN(CC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1)Cc1ccccc1
InChIInChI=1S/C24H27N3O3S/c1-3-27(18-20-11-6-4-7-12-20)19-24(28)25-21-13-10-16-23(17-21)31(29,30)26(2)22-14-8-5-9-15-22/h4-17H,3,18-19H2,1-2H3,(H,25,28)
InChIKeyHLNXPRVSDUMDPG-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.97
Rot. Bonds9

About 2-[benzyl(ethyl)amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide

2-[benzyl(ethyl)amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide (PubChem CID 25163259) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
PubChem CID25163259
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name2-[benzyl(ethyl)amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
SMILESCCN(CC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1)Cc1ccccc1
InChIInChI=1S/C24H27N3O3S/c1-3-27(18-20-11-6-4-7-12-20)19-24(28)25-21-13-10-16-23(17-21)31(29,30)26(2)22-14-8-5-9-15-22/h4-17H,3,18-19H2,1-2H3,(H,25,28)
InChIKeyHLNXPRVSDUMDPG-UHFFFAOYSA-N
XLogP3.97
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-[benzyl(ethyl)amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide (CID 25163259) is 2-[benzyl(ethyl)amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-[benzyl(ethyl)amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide is CCN(CC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(ethyl)amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is HLNXPRVSDUMDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-3-27(18-20-11-6-4-7-12-20)19-24(28)25-21-13-10-16-23(17-21)31(29,30)26(2)22-14-8-5-9-15-22/h4-17H,3,18-19H2,1-2H3,(H,25,28).
What are the key properties of 2-[benzyl(ethyl)amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
2-[benzyl(ethyl)amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 437.57 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 25163259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).