N-(5-amino-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide

C12H18N2O2S — CID 66115840

IUPACN-(5-amino-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide
SMILESCc1ccc(N)cc1NC(=O)CSCCCO
InChIInChI=1S/C12H18N2O2S/c1-9-3-4-10(13)7-11(9)14-12(16)8-17-6-2-5-15/h3-4,7,15H,2,5-6,8,13H2,1H3,(H,14,16)
InChIKeyCOEZHVZUAHZRRG-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.63
Rot. Bonds6

About N-(5-amino-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide

N-(5-amino-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide (PubChem CID 66115840) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide
PubChem CID66115840
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-(5-amino-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide
SMILESCc1ccc(N)cc1NC(=O)CSCCCO
InChIInChI=1S/C12H18N2O2S/c1-9-3-4-10(13)7-11(9)14-12(16)8-17-6-2-5-15/h3-4,7,15H,2,5-6,8,13H2,1H3,(H,14,16)
InChIKeyCOEZHVZUAHZRRG-UHFFFAOYSA-N
XLogP1.63
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.63
H-Bond Donors ≤ 53
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-methylphenyl)-2-butylsulfanylacetamide
CID 43615751
N-(5-amino-2-methylphenyl)-3-(3-hydroxypropylsulfanyl)propanamide
CID 66114935
N-(5-amino-2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 66116080
N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 66127421
N-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 66114723
N-(5-amino-2-methylphenyl)-4-methylsulfanylbutanamide
CID 61025006
2-(3-aminopropylsulfanyl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 66216831
N-(5-amino-2-fluorophenyl)-2-pentylsulfanylacetamide
CID 107748522
N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 60891052
methyl 3-[3-(5-amino-2-methylanilino)-3-oxopropyl]sulfanylpropanoate
CID 43617765
N-(4-amino-2-chlorophenyl)-2-pentylsulfanylacetamide
CID 107748600
N-(5-amino-2-methylphenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
CID 54879460

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide (CID 66115840) is N-(5-amino-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide is Cc1ccc(N)cc1NC(=O)CSCCCO.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide?
The InChIKey is COEZHVZUAHZRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9-3-4-10(13)7-11(9)14-12(16)8-17-6-2-5-15/h3-4,7,15H,2,5-6,8,13H2,1H3,(H,14,16).
What are the key properties of N-(5-amino-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide?
N-(5-amino-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide has a molecular weight of 254.35 g/mol, XLogP of 1.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide is sourced from PubChem (CID 66115840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).