2-(3-hydroxypropylsulfanyl)-N-(2-methoxyphenyl)propanamide

C13H19NO3S — CID 82181810

IUPAC2-(3-hydroxypropylsulfanyl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)SCCCO
InChIInChI=1S/C13H19NO3S/c1-10(18-9-5-8-15)13(16)14-11-6-3-4-7-12(11)17-2/h3-4,6-7,10,15H,5,8-9H2,1-2H3,(H,14,16)
InChIKeyNNENSQVLANJHOG-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.14
Rot. Bonds7

About 2-(3-hydroxypropylsulfanyl)-N-(2-methoxyphenyl)propanamide

2-(3-hydroxypropylsulfanyl)-N-(2-methoxyphenyl)propanamide (PubChem CID 82181810) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(3-hydroxypropylsulfanyl)-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(3-hydroxypropylsulfanyl)-N-(2-methoxyphenyl)propanamide
PubChem CID82181810
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-(3-hydroxypropylsulfanyl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)SCCCO
InChIInChI=1S/C13H19NO3S/c1-10(18-9-5-8-15)13(16)14-11-6-3-4-7-12(11)17-2/h3-4,6-7,10,15H,5,8-9H2,1-2H3,(H,14,16)
InChIKeyNNENSQVLANJHOG-UHFFFAOYSA-N
XLogP2.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-hydroxypropylsulfanyl)-N-(2-methoxyphenyl)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

2-(2-aminoethylsulfanyl)-N-(2-methoxyphenyl)propanamide
CID 82179913
2-(cyanomethylsulfanyl)-N-(2-methoxyphenyl)propanamide
CID 82180832
(2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide
CID 94038326
(2S)-2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide
CID 94038325
(2R)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 1412136
(2R)-2-[(3-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide
CID 94038324
(2R)-2-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730
(2R)-2-bromo-N-(2-methoxyphenyl)propanamide
CID 737002
1-(4-hydroxybutan-2-yl)-3-(2-methoxyphenyl)urea
CID 78998444
2-butylsulfanyl-N-(2-methylsulfanylphenyl)propanamide
CID 78762081
2-butylsulfanyl-N-(2-phenylphenyl)propanamide
CID 112781235
N-(2-methoxyphenyl)-2-propylpentanamide
CID 2995533

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropylsulfanyl)-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 2-(3-hydroxypropylsulfanyl)-N-(2-methoxyphenyl)propanamide (CID 82181810) is 2-(3-hydroxypropylsulfanyl)-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 2-(3-hydroxypropylsulfanyl)-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 2-(3-hydroxypropylsulfanyl)-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)C(C)SCCCO.
What is the InChIKey of 2-(3-hydroxypropylsulfanyl)-N-(2-methoxyphenyl)propanamide?
The InChIKey is NNENSQVLANJHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-10(18-9-5-8-15)13(16)14-11-6-3-4-7-12(11)17-2/h3-4,6-7,10,15H,5,8-9H2,1-2H3,(H,14,16).
What are the key properties of 2-(3-hydroxypropylsulfanyl)-N-(2-methoxyphenyl)propanamide?
2-(3-hydroxypropylsulfanyl)-N-(2-methoxyphenyl)propanamide has a molecular weight of 269.37 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropylsulfanyl)-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 82181810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).