N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(4-methylphenoxy)propanamide

C15H23NO3S — CID 103801086

IUPACN-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(4-methylphenoxy)propanamide
SMILESCc1ccc(OCCC(=O)NCCSCCCO)cc1
InChIInChI=1S/C15H23NO3S/c1-13-3-5-14(6-4-13)19-10-7-15(18)16-8-12-20-11-2-9-17/h3-6,17H,2,7-12H2,1H3,(H,16,18)
InChIKeyRMBISECPXBLQJJ-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.00
Rot. Bonds10

About N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(4-methylphenoxy)propanamide

N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(4-methylphenoxy)propanamide (PubChem CID 103801086) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(4-methylphenoxy)propanamide
PubChem CID103801086
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(4-methylphenoxy)propanamide
SMILESCc1ccc(OCCC(=O)NCCSCCCO)cc1
InChIInChI=1S/C15H23NO3S/c1-13-3-5-14(6-4-13)19-10-7-15(18)16-8-12-20-11-2-9-17/h3-6,17H,2,7-12H2,1H3,(H,16,18)
InChIKeyRMBISECPXBLQJJ-UHFFFAOYSA-N
XLogP2.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(4-methylphenoxy)propanamide 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-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide
CID 106843542
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-(4-methylphenoxy)butanamide
CID 21367179
3-(4-methylphenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 9163163
N-[2-(4-methylphenoxy)ethyl]pentanamide
CID 19174784
4-(methylamino)-N-[3-(4-methylphenoxy)propyl]butanamide;hydrochloride
CID 119757236
4-(methylamino)-N-[4-(4-methylphenoxy)butyl]butanamide
CID 119722655
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(3-methylphenyl)propanamide
CID 103800925
5-[3-(4-methylphenoxy)propylsulfanyl]pentanoic acid
CID 117097925
N-(2-amino-2-oxoethyl)-3-(4-methylphenoxy)propanamide
CID 9295558
3-(4-fluorophenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318784
2-(2,6-dimethylphenoxy)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
CID 103767552
N-(3-hydroxy-4-methoxybutyl)-3-(4-methylphenoxy)propanamide
CID 103877644

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(4-methylphenoxy)propanamide?
The IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(4-methylphenoxy)propanamide (CID 103801086) is N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(4-methylphenoxy)propanamide?
The canonical SMILES for N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(4-methylphenoxy)propanamide is Cc1ccc(OCCC(=O)NCCSCCCO)cc1.
What is the InChIKey of N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(4-methylphenoxy)propanamide?
The InChIKey is RMBISECPXBLQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-13-3-5-14(6-4-13)19-10-7-15(18)16-8-12-20-11-2-9-17/h3-6,17H,2,7-12H2,1H3,(H,16,18).
What are the key properties of N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(4-methylphenoxy)propanamide?
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(4-methylphenoxy)propanamide has a molecular weight of 297.42 g/mol, XLogP of 2.00, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(4-methylphenoxy)propanamide is sourced from PubChem (CID 103801086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).