N-(2-amino-4-methoxyphenyl)-4-(3-hydroxypropylsulfanyl)butanamide

C14H22N2O3S — CID 66114270

IUPACN-(2-amino-4-methoxyphenyl)-4-(3-hydroxypropylsulfanyl)butanamide
SMILESCOc1ccc(NC(=O)CCCSCCCO)c(N)c1
InChIInChI=1S/C14H22N2O3S/c1-19-11-5-6-13(12(15)10-11)16-14(18)4-2-8-20-9-3-7-17/h5-6,10,17H,2-4,7-9,15H2,1H3,(H,16,18)
InChIKeyTZXGGJLEJGMNRX-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.11
Rot. Bonds9

About N-(2-amino-4-methoxyphenyl)-4-(3-hydroxypropylsulfanyl)butanamide

N-(2-amino-4-methoxyphenyl)-4-(3-hydroxypropylsulfanyl)butanamide (PubChem CID 66114270) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-4-(3-hydroxypropylsulfanyl)butanamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-4-(3-hydroxypropylsulfanyl)butanamide
PubChem CID66114270
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(2-amino-4-methoxyphenyl)-4-(3-hydroxypropylsulfanyl)butanamide
SMILESCOc1ccc(NC(=O)CCCSCCCO)c(N)c1
InChIInChI=1S/C14H22N2O3S/c1-19-11-5-6-13(12(15)10-11)16-14(18)4-2-8-20-9-3-7-17/h5-6,10,17H,2-4,7-9,15H2,1H3,(H,16,18)
InChIKeyTZXGGJLEJGMNRX-UHFFFAOYSA-N
XLogP2.11
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.11
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'}

Analyze N-(2-amino-4-methoxyphenyl)-4-(3-hydroxypropylsulfanyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-4-methoxyphenyl)nonanamide
CID 65449480
N-(2-amino-4-methoxyphenyl)-4-(3-hydroxybutan-2-ylsulfanyl)butanamide
CID 107770402
N-(2-amino-4-methoxyphenyl)-4-[methyl(2-methylsulfanylethyl)amino]butanamide
CID 115985312
N-(2-amino-4-methoxyphenyl)-4-pentoxybutanamide
CID 43274979
N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide
CID 79019431
3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
N-(2-amino-4-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272559
N-(2-amino-4-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 54879538
N-(2-amino-4-methoxyphenyl)-3-butylsulfonylpropanamide
CID 43615944
N-(2-amino-4-methoxyphenyl)-4-thiomorpholin-4-ylbutanamide
CID 28556237
N-(5-amino-2-methoxyphenyl)-4-(2-hydroxyethylsulfanyl)butanamide
CID 43617487
N-(2-amino-4-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide
CID 60884521

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-4-(3-hydroxypropylsulfanyl)butanamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-4-(3-hydroxypropylsulfanyl)butanamide (CID 66114270) is N-(2-amino-4-methoxyphenyl)-4-(3-hydroxypropylsulfanyl)butanamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-4-(3-hydroxypropylsulfanyl)butanamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-4-(3-hydroxypropylsulfanyl)butanamide is COc1ccc(NC(=O)CCCSCCCO)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-4-(3-hydroxypropylsulfanyl)butanamide?
The InChIKey is TZXGGJLEJGMNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-19-11-5-6-13(12(15)10-11)16-14(18)4-2-8-20-9-3-7-17/h5-6,10,17H,2-4,7-9,15H2,1H3,(H,16,18).
What are the key properties of N-(2-amino-4-methoxyphenyl)-4-(3-hydroxypropylsulfanyl)butanamide?
N-(2-amino-4-methoxyphenyl)-4-(3-hydroxypropylsulfanyl)butanamide has a molecular weight of 298.41 g/mol, XLogP of 2.11, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-4-(3-hydroxypropylsulfanyl)butanamide is sourced from PubChem (CID 66114270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).