N-(2-ethylphenyl)-2-[methyl(2-methylsulfinylethyl)amino]propanamide

C15H24N2O2S — CID 3039539

IUPACN-(2-ethylphenyl)-2-[methyl(2-methylsulfinylethyl)amino]propanamide
SMILESCCc1ccccc1NC(=O)C(C)N(C)CCS(C)=O
InChIInChI=1S/C15H24N2O2S/c1-5-13-8-6-7-9-14(13)16-15(18)12(2)17(3)10-11-20(4)19/h6-9,12H,5,10-11H2,1-4H3,(H,16,18)
InChIKeyGCVLQWUCURIEGI-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.89
Rot. Bonds7

About N-(2-ethylphenyl)-2-[methyl(2-methylsulfinylethyl)amino]propanamide

N-(2-ethylphenyl)-2-[methyl(2-methylsulfinylethyl)amino]propanamide (PubChem CID 3039539) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[methyl(2-methylsulfinylethyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[methyl(2-methylsulfinylethyl)amino]propanamide
PubChem CID3039539
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-(2-ethylphenyl)-2-[methyl(2-methylsulfinylethyl)amino]propanamide
SMILESCCc1ccccc1NC(=O)C(C)N(C)CCS(C)=O
InChIInChI=1S/C15H24N2O2S/c1-5-13-8-6-7-9-14(13)16-15(18)12(2)17(3)10-11-20(4)19/h6-9,12H,5,10-11H2,1-4H3,(H,16,18)
InChIKeyGCVLQWUCURIEGI-UHFFFAOYSA-N
XLogP1.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylphenyl)-2-methylbutanamide
CID 3140517
(2S)-2-methyl-N-[2-[[(S)-methylsulfinyl]methyl]phenyl]butanamide
CID 97306982
2-[(2-ethylphenyl)carbamoyl-methylamino]propanoic acid
CID 55096880
N-[2-(aminomethyl)phenyl]-2-[5-hydroxypentyl(methyl)amino]propanamide
CID 107198478
N-[2-(aminomethyl)phenyl]-2-[benzyl(methyl)amino]propanamide
CID 18070950
N-(2-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271243
2-[2-hydroxyethyl(methyl)amino]-N-naphthalen-1-ylpropanamide
CID 110880711
(2R)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517819
(2S)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517815
2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)propanamide
CID 51167467
(2R)-2-chloro-N-(2-ethylphenyl)-2-phenylacetamide
CID 40554367
(2S)-2-chloro-N-(2-ethylphenyl)-2-phenylacetamide
CID 40554368

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[methyl(2-methylsulfinylethyl)amino]propanamide?
The IUPAC name of N-(2-ethylphenyl)-2-[methyl(2-methylsulfinylethyl)amino]propanamide (CID 3039539) is N-(2-ethylphenyl)-2-[methyl(2-methylsulfinylethyl)amino]propanamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[methyl(2-methylsulfinylethyl)amino]propanamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[methyl(2-methylsulfinylethyl)amino]propanamide is CCc1ccccc1NC(=O)C(C)N(C)CCS(C)=O.
What is the InChIKey of N-(2-ethylphenyl)-2-[methyl(2-methylsulfinylethyl)amino]propanamide?
The InChIKey is GCVLQWUCURIEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-5-13-8-6-7-9-14(13)16-15(18)12(2)17(3)10-11-20(4)19/h6-9,12H,5,10-11H2,1-4H3,(H,16,18).
What are the key properties of N-(2-ethylphenyl)-2-[methyl(2-methylsulfinylethyl)amino]propanamide?
N-(2-ethylphenyl)-2-[methyl(2-methylsulfinylethyl)amino]propanamide has a molecular weight of 296.44 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[methyl(2-methylsulfinylethyl)amino]propanamide is sourced from PubChem (CID 3039539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).