N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-phenylpropanamide

C14H21NO2S — CID 103767427

IUPACN-[2-(3-hydroxypropylsulfanyl)ethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCCSCCCO
InChIInChI=1S/C14H21NO2S/c16-10-4-11-18-12-9-15-14(17)8-7-13-5-2-1-3-6-13/h1-3,5-6,16H,4,7-12H2,(H,15,17)
InChIKeyQWGDJPAWSQYKLT-UHFFFAOYSA-N
MW267.39 g/mol
LogP1.85
Rot. Bonds9

About N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-phenylpropanamide

N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-phenylpropanamide (PubChem CID 103767427) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-3-phenylpropanamide
PubChem CID103767427
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCCSCCCO
InChIInChI=1S/C14H21NO2S/c16-10-4-11-18-12-9-15-14(17)8-7-13-5-2-1-3-6-13/h1-3,5-6,16H,4,7-12H2,(H,15,17)
InChIKeyQWGDJPAWSQYKLT-UHFFFAOYSA-N
XLogP1.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(3-methylphenyl)propanamide
CID 103800925
(2S)-2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-phenylbutanamide
CID 106310901
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-naphthalen-2-ylacetamide
CID 103767492
2-(4-aminophenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
CID 106308475
N-[2-(3-phenylpropanoylamino)ethyl]butanamide
CID 108573772
N-[2-(3-hydroxypropylsulfanyl)ethyl]-1-phenylmethanesulfonamide
CID 113240021
(2R)-2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-phenylacetamide
CID 114171939
2-(2,6-dimethylphenoxy)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
CID 103767552
N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
CID 39367183
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(4-methylphenoxy)propanamide
CID 103801086
3-(4-aminophenyl)-N-(2-phenylsulfanylethyl)propanamide
CID 61117437
N-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide
CID 118398418

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-phenylpropanamide (CID 103767427) is N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NCCSCCCO.
What is the InChIKey of N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-phenylpropanamide?
The InChIKey is QWGDJPAWSQYKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c16-10-4-11-18-12-9-15-14(17)8-7-13-5-2-1-3-6-13/h1-3,5-6,16H,4,7-12H2,(H,15,17).
What are the key properties of N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-phenylpropanamide?
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-phenylpropanamide has a molecular weight of 267.39 g/mol, XLogP of 1.85, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 103767427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).