N-(4-amino-2-methylphenyl)-2-(2-methoxyethylsulfanyl)propanamide

C13H20N2O2S — CID 43382496

IUPACN-(4-amino-2-methylphenyl)-2-(2-methoxyethylsulfanyl)propanamide
SMILESCOCCSC(C)C(=O)Nc1ccc(N)cc1C
InChIInChI=1S/C13H20N2O2S/c1-9-8-11(14)4-5-12(9)15-13(16)10(2)18-7-6-17-3/h4-5,8,10H,6-7,14H2,1-3H3,(H,15,16)
InChIKeyLMXLXTNOKHXHOH-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.28
Rot. Bonds6

About N-(4-amino-2-methylphenyl)-2-(2-methoxyethylsulfanyl)propanamide

N-(4-amino-2-methylphenyl)-2-(2-methoxyethylsulfanyl)propanamide (PubChem CID 43382496) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-(2-methoxyethylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-(2-methoxyethylsulfanyl)propanamide
PubChem CID43382496
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-(4-amino-2-methylphenyl)-2-(2-methoxyethylsulfanyl)propanamide
SMILESCOCCSC(C)C(=O)Nc1ccc(N)cc1C
InChIInChI=1S/C13H20N2O2S/c1-9-8-11(14)4-5-12(9)15-13(16)10(2)18-7-6-17-3/h4-5,8,10H,6-7,14H2,1-3H3,(H,15,16)
InChIKeyLMXLXTNOKHXHOH-UHFFFAOYSA-N
XLogP2.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-fluorophenyl)-2-(2-methoxyethylsulfanyl)propanamide
CID 43382522
N-(4-amino-2-methylphenyl)-2-methylpropanamide
CID 960642
N-(4-amino-2-methylphenyl)-2-[3-methoxypropyl(methyl)amino]propanamide
CID 62983726
N-(4-amino-2-methylphenyl)-2-(3-methoxypropylsulfonyl)propanamide
CID 63857920
N-(4-amino-2-methylphenyl)-2-heptoxypropanamide
CID 43127072
N-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)propanamide
CID 66114719
N-(4-amino-2-methylphenyl)-4-propan-2-ylsulfanylbutanamide
CID 60884711
N-(4-amino-2-methylphenyl)-2-ethylsulfonylpropanamide
CID 43382336
N-(4-amino-2-methylphenyl)-2-(3-methoxypropoxy)acetamide
CID 54936104
ethyl 2-[1-(4-amino-2-chloroanilino)-1-oxopropan-2-yl]sulfanylacetate
CID 43618307
N-(4-amino-2-methylphenyl)-3-(3-hydroxybutan-2-ylsulfanyl)propanamide
CID 107770540
N-(4-amino-2-methoxyphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 66104221

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-(2-methoxyethylsulfanyl)propanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-(2-methoxyethylsulfanyl)propanamide (CID 43382496) is N-(4-amino-2-methylphenyl)-2-(2-methoxyethylsulfanyl)propanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-(2-methoxyethylsulfanyl)propanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-(2-methoxyethylsulfanyl)propanamide is COCCSC(C)C(=O)Nc1ccc(N)cc1C.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-(2-methoxyethylsulfanyl)propanamide?
The InChIKey is LMXLXTNOKHXHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9-8-11(14)4-5-12(9)15-13(16)10(2)18-7-6-17-3/h4-5,8,10H,6-7,14H2,1-3H3,(H,15,16).
What are the key properties of N-(4-amino-2-methylphenyl)-2-(2-methoxyethylsulfanyl)propanamide?
N-(4-amino-2-methylphenyl)-2-(2-methoxyethylsulfanyl)propanamide has a molecular weight of 268.38 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-2-(2-methoxyethylsulfanyl)propanamide is sourced from PubChem (CID 43382496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).