3-[4-(diethylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]propanamide

C21H28N2O3S — CID 33281109

IUPAC3-[4-(diethylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCc2cccc(C)c2)cc1
InChIInChI=1S/C21H28N2O3S/c1-4-23(5-2)27(25,26)20-12-9-18(10-13-20)11-14-21(24)22-16-19-8-6-7-17(3)15-19/h6-10,12-13,15H,4-5,11,14,16H2,1-3H3,(H,22,24)
InChIKeyOAWMAJMHOIPHQJ-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.27
Rot. Bonds9

About 3-[4-(diethylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]propanamide

3-[4-(diethylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 33281109) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 3-[4-(diethylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[4-(diethylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]propanamide
PubChem CID33281109
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name3-[4-(diethylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCc2cccc(C)c2)cc1
InChIInChI=1S/C21H28N2O3S/c1-4-23(5-2)27(25,26)20-12-9-18(10-13-20)11-14-21(24)22-16-19-8-6-7-17(3)15-19/h6-10,12-13,15H,4-5,11,14,16H2,1-3H3,(H,22,24)
InChIKeyOAWMAJMHOIPHQJ-UHFFFAOYSA-N
XLogP3.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55578028
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide
CID 31747284
N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 27658888
3-[4-(diethylsulfamoyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 60574292
3-[4-(diethylsulfamoyl)phenyl]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide
CID 37358087
N-[(2-chlorophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 26244985
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 31640298
3-[4-(diethylsulfamoyl)phenyl]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 28562876
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(3-methylphenyl)methyl]acetamide
CID 100790406
N-[2-(diethylamino)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55393884
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 31337257
3-[4-(diethylsulfamoyl)phenyl]-N-(3-hydroxypropyl)propanamide
CID 78821548

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]propanamide (CID 33281109) is 3-[4-(diethylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[4-(diethylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-[4-(diethylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]propanamide is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCc2cccc(C)c2)cc1.
What is the InChIKey of 3-[4-(diethylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is OAWMAJMHOIPHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-4-23(5-2)27(25,26)20-12-9-18(10-13-20)11-14-21(24)22-16-19-8-6-7-17(3)15-19/h6-10,12-13,15H,4-5,11,14,16H2,1-3H3,(H,22,24).
What are the key properties of 3-[4-(diethylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]propanamide?
3-[4-(diethylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]propanamide has a molecular weight of 388.53 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 33281109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).