2-[benzyl(ethyl)amino]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide

C22H31N3O3S — CID 8541301

IUPAC2-[benzyl(ethyl)amino]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
SMILESCCN(CC(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1)Cc1ccccc1
InChIInChI=1S/C22H31N3O3S/c1-5-24(16-19-11-9-8-10-12-19)17-22(26)23-20-14-13-18(4)21(15-20)29(27,28)25(6-2)7-3/h8-15H,5-7,16-17H2,1-4H3,(H,23,26)
InChIKeyZYCOPRCTKAWFNP-UHFFFAOYSA-N
MW417.58 g/mol
LogP3.49
Rot. Bonds10

About 2-[benzyl(ethyl)amino]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide

2-[benzyl(ethyl)amino]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide (PubChem CID 8541301) has the molecular formula C22H31N3O3S and a molecular weight of 417.58 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
PubChem CID8541301
Molecular FormulaC22H31N3O3S
Molecular Weight417.58 g/mol
Exact Mass417.21
IUPAC Name2-[benzyl(ethyl)amino]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
SMILESCCN(CC(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1)Cc1ccccc1
InChIInChI=1S/C22H31N3O3S/c1-5-24(16-19-11-9-8-10-12-19)17-22(26)23-20-14-13-18(4)21(15-20)29(27,28)25(6-2)7-3/h8-15H,5-7,16-17H2,1-4H3,(H,23,26)
InChIKeyZYCOPRCTKAWFNP-UHFFFAOYSA-N
XLogP3.49
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.58
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 30837672
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 9333516
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898378
2-[benzyl(ethyl)amino]-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 8533359
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-phenoxyethoxy)acetamide
CID 55752933
2-(4-chlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 7689008
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965560
2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide
CID 8771644
N-(3,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
CID 100781411
N-[4-[3-(diethylsulfamoyl)-4-methylanilino]-4-oxobutan-2-yl]benzamide
CID 46817764
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-sulfamoylphenyl)acetamide
CID 56511573
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-phenylmethoxybenzoate
CID 5075578

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide?
The IUPAC name of 2-[benzyl(ethyl)amino]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide (CID 8541301) is 2-[benzyl(ethyl)amino]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide?
The canonical SMILES for 2-[benzyl(ethyl)amino]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide is CCN(CC(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(ethyl)amino]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide?
The InChIKey is ZYCOPRCTKAWFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3S/c1-5-24(16-19-11-9-8-10-12-19)17-22(26)23-20-14-13-18(4)21(15-20)29(27,28)25(6-2)7-3/h8-15H,5-7,16-17H2,1-4H3,(H,23,26).
What are the key properties of 2-[benzyl(ethyl)amino]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide?
2-[benzyl(ethyl)amino]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide has a molecular weight of 417.58 g/mol, XLogP of 3.49, 10 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-(diethylsulfamoyl)-4-methylphenyl]acetamide is sourced from PubChem (CID 8541301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).