3-(methylamino)-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide

C13H20N2OS — CID 115153341

IUPAC3-(methylamino)-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide
SMILESCNCCC(=O)NCCc1ccc(SC)cc1
InChIInChI=1S/C13H20N2OS/c1-14-9-8-13(16)15-10-7-11-3-5-12(17-2)6-4-11/h3-6,14H,7-10H2,1-2H3,(H,15,16)
InChIKeySMEBQZRHCZDVCP-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.68
Rot. Bonds7

About 3-(methylamino)-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide

3-(methylamino)-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide (PubChem CID 115153341) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 3-(methylamino)-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(methylamino)-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide
PubChem CID115153341
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name3-(methylamino)-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide
SMILESCNCCC(=O)NCCc1ccc(SC)cc1
InChIInChI=1S/C13H20N2OS/c1-14-9-8-13(16)15-10-7-11-3-5-12(17-2)6-4-11/h3-6,14H,7-10H2,1-2H3,(H,15,16)
InChIKeySMEBQZRHCZDVCP-UHFFFAOYSA-N
XLogP1.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylsulfanylphenyl)ethyl]propanamide
CID 110790560
1-methyl-3-[2-(4-methylsulfanylphenyl)ethyl]urea
CID 115169381
2-(4-fluorophenoxy)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
CID 110790579
1-tert-butyl-3-[2-(4-methylsulfanylphenyl)ethyl]urea
CID 110776093
1-(2,2-dimethylpropyl)-3-[2-(4-methylsulfanylphenyl)ethyl]urea
CID 110776095
N-[2-(4-fluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119675755
2-(3-hydroxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
CID 122149946
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide
CID 61259854
(2S)-2-amino-4-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pentanamide
CID 110482514
N-hydroxy-3-(4-methylsulfanylphenyl)propanamide
CID 59191041
(E)-4-[2-(4-methylsulfanylphenyl)ethylamino]-4-oxobut-2-enoic acid
CID 115177285
2-(methylamino)-N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]acetamide
CID 115152034

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide?
The IUPAC name of 3-(methylamino)-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide (CID 115153341) is 3-(methylamino)-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(methylamino)-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(methylamino)-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide is CNCCC(=O)NCCc1ccc(SC)cc1.
What is the InChIKey of 3-(methylamino)-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide?
The InChIKey is SMEBQZRHCZDVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-14-9-8-13(16)15-10-7-11-3-5-12(17-2)6-4-11/h3-6,14H,7-10H2,1-2H3,(H,15,16).
What are the key properties of 3-(methylamino)-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide?
3-(methylamino)-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide has a molecular weight of 252.38 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide is sourced from PubChem (CID 115153341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).