2-(2-aminoethylsulfanyl)-N-(2-methoxyphenyl)propanamide

C12H18N2O2S — CID 82179913

IUPAC2-(2-aminoethylsulfanyl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)SCCN
InChIInChI=1S/C12H18N2O2S/c1-9(17-8-7-13)12(15)14-10-5-3-4-6-11(10)16-2/h3-6,9H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyOMWLHIHWOULNGZ-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.71
Rot. Bonds6

About 2-(2-aminoethylsulfanyl)-N-(2-methoxyphenyl)propanamide

2-(2-aminoethylsulfanyl)-N-(2-methoxyphenyl)propanamide (PubChem CID 82179913) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)-N-(2-methoxyphenyl)propanamide
PubChem CID82179913
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-(2-aminoethylsulfanyl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)SCCN
InChIInChI=1S/C12H18N2O2S/c1-9(17-8-7-13)12(15)14-10-5-3-4-6-11(10)16-2/h3-6,9H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyOMWLHIHWOULNGZ-UHFFFAOYSA-N
XLogP1.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxypropylsulfanyl)-N-(2-methoxyphenyl)propanamide
CID 82181810
2-(cyanomethylsulfanyl)-N-(2-methoxyphenyl)propanamide
CID 82180832
(2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide
CID 94038326
(2S)-2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide
CID 94038325
2-(2-aminoethyl)-N-(2-methoxyphenyl)-3-methylbutanamide
CID 112516204
(2R)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 1412136
(2R)-2-[(3-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide
CID 94038324
(2S)-N-(4-chlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 7731710
(2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 9046467
(2R)-2-bromo-N-(2-methoxyphenyl)propanamide
CID 737002
(2R)-2-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730
N-(2-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide
CID 61298351

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfanyl)-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 2-(2-aminoethylsulfanyl)-N-(2-methoxyphenyl)propanamide (CID 82179913) is 2-(2-aminoethylsulfanyl)-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 2-(2-aminoethylsulfanyl)-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)C(C)SCCN.
What is the InChIKey of 2-(2-aminoethylsulfanyl)-N-(2-methoxyphenyl)propanamide?
The InChIKey is OMWLHIHWOULNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9(17-8-7-13)12(15)14-10-5-3-4-6-11(10)16-2/h3-6,9H,7-8,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-aminoethylsulfanyl)-N-(2-methoxyphenyl)propanamide?
2-(2-aminoethylsulfanyl)-N-(2-methoxyphenyl)propanamide has a molecular weight of 254.35 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfanyl)-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 82179913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).