N-[3-[methyl(methylsulfonyl)amino]propyl]-3,3-diphenylpropanamide

C20H26N2O3S — CID 46494113

IUPACN-[3-[methyl(methylsulfonyl)amino]propyl]-3,3-diphenylpropanamide
SMILESCN(CCCNC(=O)CC(c1ccccc1)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O3S/c1-22(26(2,24)25)15-9-14-21-20(23)16-19(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19H,9,14-16H2,1-2H3,(H,21,23)
InChIKeyJCAOGAUEXIWJFE-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.61
Rot. Bonds9

About N-[3-[methyl(methylsulfonyl)amino]propyl]-3,3-diphenylpropanamide

N-[3-[methyl(methylsulfonyl)amino]propyl]-3,3-diphenylpropanamide (PubChem CID 46494113) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[3-[methyl(methylsulfonyl)amino]propyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[3-[methyl(methylsulfonyl)amino]propyl]-3,3-diphenylpropanamide
PubChem CID46494113
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-[3-[methyl(methylsulfonyl)amino]propyl]-3,3-diphenylpropanamide
SMILESCN(CCCNC(=O)CC(c1ccccc1)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O3S/c1-22(26(2,24)25)15-9-14-21-20(23)16-19(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19H,9,14-16H2,1-2H3,(H,21,23)
InChIKeyJCAOGAUEXIWJFE-UHFFFAOYSA-N
XLogP2.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[3-[3-[methyl(methylsulfonyl)amino]propylamino]-3-oxo-1-phenylpropyl]benzamide
CID 46434139
N-[2-(dimethylamino)ethyl]-3,3-diphenylpropanamide
CID 2184828
3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-phenylpropanamide
CID 119950039
3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-phenylpropanamide;hydrochloride
CID 119950038
3,3-diphenyl-N-propylpropanamide
CID 4638647
N-[2-(diethylamino)ethyl]-3,3-diphenylpropanamide
CID 59499353
3-(1,3-dioxoisoindol-2-yl)-N-[3-[methyl(methylsulfonyl)amino]propyl]propanamide
CID 46480407
(3R)-N-[2-(dimethylsulfamoyl)ethyl]-3-(4-fluorophenyl)-3-phenylpropanamide
CID 99929803
N-(2-methoxyethyl)-3,3-diphenylpropanamide
CID 2263132
N-[2-(dimethylsulfamoyl)ethyl]-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 72856052
N-[2-(ethylamino)ethyl]-3,3-diphenylpropanamide;hydrochloride
CID 119508377
N-[3-oxo-3-(propylamino)propyl]-3,3-diphenylpropanamide
CID 60551468

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(methylsulfonyl)amino]propyl]-3,3-diphenylpropanamide?
The IUPAC name of N-[3-[methyl(methylsulfonyl)amino]propyl]-3,3-diphenylpropanamide (CID 46494113) is N-[3-[methyl(methylsulfonyl)amino]propyl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[3-[methyl(methylsulfonyl)amino]propyl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[3-[methyl(methylsulfonyl)amino]propyl]-3,3-diphenylpropanamide is CN(CCCNC(=O)CC(c1ccccc1)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-[3-[methyl(methylsulfonyl)amino]propyl]-3,3-diphenylpropanamide?
The InChIKey is JCAOGAUEXIWJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-22(26(2,24)25)15-9-14-21-20(23)16-19(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19H,9,14-16H2,1-2H3,(H,21,23).
What are the key properties of N-[3-[methyl(methylsulfonyl)amino]propyl]-3,3-diphenylpropanamide?
N-[3-[methyl(methylsulfonyl)amino]propyl]-3,3-diphenylpropanamide has a molecular weight of 374.51 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(methylsulfonyl)amino]propyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 46494113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).