N-[2-(dimethylsulfamoyl)ethyl]-3-(4-methoxyphenyl)-3-phenylpropanamide

C20H26N2O4S — CID 72856052

IUPACN-[2-(dimethylsulfamoyl)ethyl]-3-(4-methoxyphenyl)-3-phenylpropanamide
SMILESCOc1ccc(C(CC(=O)NCCS(=O)(=O)N(C)C)c2ccccc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-22(2)27(24,25)14-13-21-20(23)15-19(16-7-5-4-6-8-16)17-9-11-18(26-3)12-10-17/h4-12,19H,13-15H2,1-3H3,(H,21,23)
InChIKeyDUSZNYVKMJDFOI-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.22
Rot. Bonds9

About N-[2-(dimethylsulfamoyl)ethyl]-3-(4-methoxyphenyl)-3-phenylpropanamide

N-[2-(dimethylsulfamoyl)ethyl]-3-(4-methoxyphenyl)-3-phenylpropanamide (PubChem CID 72856052) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[2-(dimethylsulfamoyl)ethyl]-3-(4-methoxyphenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(dimethylsulfamoyl)ethyl]-3-(4-methoxyphenyl)-3-phenylpropanamide
PubChem CID72856052
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[2-(dimethylsulfamoyl)ethyl]-3-(4-methoxyphenyl)-3-phenylpropanamide
SMILESCOc1ccc(C(CC(=O)NCCS(=O)(=O)N(C)C)c2ccccc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-22(2)27(24,25)14-13-21-20(23)15-19(16-7-5-4-6-8-16)17-9-11-18(26-3)12-10-17/h4-12,19H,13-15H2,1-3H3,(H,21,23)
InChIKeyDUSZNYVKMJDFOI-UHFFFAOYSA-N
XLogP2.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[2-(dimethylsulfamoyl)ethyl]-3-(4-fluorophenyl)-3-phenylpropanamide
CID 99929803
3-(1,3-benzodioxol-5-yl)-N-[2-(dimethylsulfamoyl)ethyl]-3-phenylpropanamide
CID 72850656
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3,3-diphenylpropanamide
CID 41349450
N-methoxy-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 144913522
methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate
CID 134965407
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylpropanamide
CID 28572588
N-tert-butyl-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 2920507
(3S)-3-[benzenesulfonyl(methyl)amino]-N-(3-hydroxypropyl)-3-(4-methoxyphenyl)propanamide
CID 92647875
(3S)-3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 26404777
N-[2-(dimethylamino)ethyl]-3,3-diphenylpropanamide
CID 2184828
N-(2-methoxyethyl)-3,3-diphenylpropanamide
CID 2263132
3-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]butanamide
CID 106337406

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-3-(4-methoxyphenyl)-3-phenylpropanamide?
The IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-3-(4-methoxyphenyl)-3-phenylpropanamide (CID 72856052) is N-[2-(dimethylsulfamoyl)ethyl]-3-(4-methoxyphenyl)-3-phenylpropanamide.
What is the SMILES notation for N-[2-(dimethylsulfamoyl)ethyl]-3-(4-methoxyphenyl)-3-phenylpropanamide?
The canonical SMILES for N-[2-(dimethylsulfamoyl)ethyl]-3-(4-methoxyphenyl)-3-phenylpropanamide is COc1ccc(C(CC(=O)NCCS(=O)(=O)N(C)C)c2ccccc2)cc1.
What is the InChIKey of N-[2-(dimethylsulfamoyl)ethyl]-3-(4-methoxyphenyl)-3-phenylpropanamide?
The InChIKey is DUSZNYVKMJDFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-22(2)27(24,25)14-13-21-20(23)15-19(16-7-5-4-6-8-16)17-9-11-18(26-3)12-10-17/h4-12,19H,13-15H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(dimethylsulfamoyl)ethyl]-3-(4-methoxyphenyl)-3-phenylpropanamide?
N-[2-(dimethylsulfamoyl)ethyl]-3-(4-methoxyphenyl)-3-phenylpropanamide has a molecular weight of 390.51 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylsulfamoyl)ethyl]-3-(4-methoxyphenyl)-3-phenylpropanamide is sourced from PubChem (CID 72856052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).