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

C14H22N2O3S — CID 43446037

IUPACN-(5-amino-2-methoxyphenyl)-4-(2-methoxyethylsulfanyl)butanamide
SMILESCOCCSCCCC(=O)Nc1cc(N)ccc1OC
InChIInChI=1S/C14H22N2O3S/c1-18-7-9-20-8-3-4-14(17)16-12-10-11(15)5-6-13(12)19-2/h5-6,10H,3-4,7-9,15H2,1-2H3,(H,16,17)
InChIKeyCEQRWMVRFHLJTH-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.38
Rot. Bonds9

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

N-(5-amino-2-methoxyphenyl)-4-(2-methoxyethylsulfanyl)butanamide (PubChem CID 43446037) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-4-(2-methoxyethylsulfanyl)butanamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-4-(2-methoxyethylsulfanyl)butanamide
PubChem CID43446037
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(5-amino-2-methoxyphenyl)-4-(2-methoxyethylsulfanyl)butanamide
SMILESCOCCSCCCC(=O)Nc1cc(N)ccc1OC
InChIInChI=1S/C14H22N2O3S/c1-18-7-9-20-8-3-4-14(17)16-12-10-11(15)5-6-13(12)19-2/h5-6,10H,3-4,7-9,15H2,1-2H3,(H,16,17)
InChIKeyCEQRWMVRFHLJTH-UHFFFAOYSA-N
XLogP2.38
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.38
H-Bond Donors ≤ 52
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-hydroxyethylsulfanyl)butanamide
CID 43617487
methyl 2-[4-(5-amino-2-methoxyanilino)-4-oxobutyl]sulfanylacetate
CID 43618014
N-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)acetamide
CID 54936528
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)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 60876936
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-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide
CID 60884523
N-(4-amino-2-methoxyphenyl)-4-propan-2-ylsulfanylbutanamide
CID 60886583
N-(5-amino-2-methoxyphenyl)-2-pentoxyacetamide
CID 43275007

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-4-(2-methoxyethylsulfanyl)butanamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-4-(2-methoxyethylsulfanyl)butanamide (CID 43446037) is N-(5-amino-2-methoxyphenyl)-4-(2-methoxyethylsulfanyl)butanamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-4-(2-methoxyethylsulfanyl)butanamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-4-(2-methoxyethylsulfanyl)butanamide is COCCSCCCC(=O)Nc1cc(N)ccc1OC.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-4-(2-methoxyethylsulfanyl)butanamide?
The InChIKey is CEQRWMVRFHLJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-18-7-9-20-8-3-4-14(17)16-12-10-11(15)5-6-13(12)19-2/h5-6,10H,3-4,7-9,15H2,1-2H3,(H,16,17).
What are the key properties of N-(5-amino-2-methoxyphenyl)-4-(2-methoxyethylsulfanyl)butanamide?
N-(5-amino-2-methoxyphenyl)-4-(2-methoxyethylsulfanyl)butanamide has a molecular weight of 298.41 g/mol, XLogP of 2.38, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxyphenyl)-4-(2-methoxyethylsulfanyl)butanamide is sourced from PubChem (CID 43446037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).