N-(5-amino-2-methoxyphenyl)-4-(2-hydroxyethylsulfanyl)butanamide

C13H20N2O3S — CID 43617487

IUPACN-(5-amino-2-methoxyphenyl)-4-(2-hydroxyethylsulfanyl)butanamide
SMILESCOc1ccc(N)cc1NC(=O)CCCSCCO
InChIInChI=1S/C13H20N2O3S/c1-18-12-5-4-10(14)9-11(12)15-13(17)3-2-7-19-8-6-16/h4-5,9,16H,2-3,6-8,14H2,1H3,(H,15,17)
InChIKeyQTFYVEBZKQLSHY-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.72
Rot. Bonds8

About N-(5-amino-2-methoxyphenyl)-4-(2-hydroxyethylsulfanyl)butanamide

N-(5-amino-2-methoxyphenyl)-4-(2-hydroxyethylsulfanyl)butanamide (PubChem CID 43617487) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-4-(2-hydroxyethylsulfanyl)butanamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-4-(2-hydroxyethylsulfanyl)butanamide
PubChem CID43617487
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-(5-amino-2-methoxyphenyl)-4-(2-hydroxyethylsulfanyl)butanamide
SMILESCOc1ccc(N)cc1NC(=O)CCCSCCO
InChIInChI=1S/C13H20N2O3S/c1-18-12-5-4-10(14)9-11(12)15-13(17)3-2-7-19-8-6-16/h4-5,9,16H,2-3,6-8,14H2,1H3,(H,15,17)
InChIKeyQTFYVEBZKQLSHY-UHFFFAOYSA-N
XLogP1.72
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-methoxyphenyl)-4-(2-methoxyethylsulfanyl)butanamide
CID 43446037
methyl 2-[4-(5-amino-2-methoxyanilino)-4-oxobutyl]sulfanylacetate
CID 43618014
N-(5-amino-2-methoxyphenyl)-4-[methyl(2-methylsulfanylethyl)amino]butanamide
CID 115985299
N-(5-amino-2-methoxyphenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16785339
N-(4-amino-2-methoxyphenyl)-4-(2-methylpropylsulfanyl)butanamide
CID 28982174
N-(5-amino-2-methoxyphenyl)-4-[1-hydroxypropan-2-yl(methyl)amino]butanamide
CID 104551240
N-(4-amino-2-methoxyphenyl)-4-(3-hydroxy-2-methylpropyl)sulfanylbutanamide
CID 66103319
N-(5-amino-2-methylphenyl)-3-(3-hydroxypropylsulfanyl)propanamide
CID 66114935
N-(4-amino-2-methoxyphenyl)-4-propan-2-ylsulfanylbutanamide
CID 60886583
N-(5-amino-2-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide
CID 60884523
N-(4-amino-2-chlorophenyl)-3-(2-hydroxyethylsulfanyl)propanamide
CID 43617467
N-(5-amino-2-methoxyphenyl)-4,4-dimethyl-3-oxopentanamide
CID 15475907

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-4-(2-hydroxyethylsulfanyl)butanamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-4-(2-hydroxyethylsulfanyl)butanamide (CID 43617487) is N-(5-amino-2-methoxyphenyl)-4-(2-hydroxyethylsulfanyl)butanamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-4-(2-hydroxyethylsulfanyl)butanamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-4-(2-hydroxyethylsulfanyl)butanamide is COc1ccc(N)cc1NC(=O)CCCSCCO.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-4-(2-hydroxyethylsulfanyl)butanamide?
The InChIKey is QTFYVEBZKQLSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-18-12-5-4-10(14)9-11(12)15-13(17)3-2-7-19-8-6-16/h4-5,9,16H,2-3,6-8,14H2,1H3,(H,15,17).
What are the key properties of N-(5-amino-2-methoxyphenyl)-4-(2-hydroxyethylsulfanyl)butanamide?
N-(5-amino-2-methoxyphenyl)-4-(2-hydroxyethylsulfanyl)butanamide has a molecular weight of 284.38 g/mol, XLogP of 1.72, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxyphenyl)-4-(2-hydroxyethylsulfanyl)butanamide is sourced from PubChem (CID 43617487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).