N-(4-ethenylphenyl)-3-(2-hydroxyethylsulfanyl)propanamide

C13H17NO2S — CID 91710777

IUPACN-(4-ethenylphenyl)-3-(2-hydroxyethylsulfanyl)propanamide
SMILESC=Cc1ccc(NC(=O)CCSCCO)cc1
InChIInChI=1S/C13H17NO2S/c1-2-11-3-5-12(6-4-11)14-13(16)7-9-17-10-8-15/h2-6,15H,1,7-10H2,(H,14,16)
InChIKeyHERVEMNESYAUGB-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.38
Rot. Bonds7

About N-(4-ethenylphenyl)-3-(2-hydroxyethylsulfanyl)propanamide

N-(4-ethenylphenyl)-3-(2-hydroxyethylsulfanyl)propanamide (PubChem CID 91710777) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(4-ethenylphenyl)-3-(2-hydroxyethylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(4-ethenylphenyl)-3-(2-hydroxyethylsulfanyl)propanamide
PubChem CID91710777
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC NameN-(4-ethenylphenyl)-3-(2-hydroxyethylsulfanyl)propanamide
SMILESC=Cc1ccc(NC(=O)CCSCCO)cc1
InChIInChI=1S/C13H17NO2S/c1-2-11-3-5-12(6-4-11)14-13(16)7-9-17-10-8-15/h2-6,15H,1,7-10H2,(H,14,16)
InChIKeyHERVEMNESYAUGB-UHFFFAOYSA-N
XLogP2.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.38
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,N'-bis(4-ethenylphenyl)butanediamide
CID 12519604
N-(4-ethenylphenyl)hexanamide
CID 132540479
3-[3-(4-iodoanilino)-3-oxopropyl]sulfanyl-N-(4-iodophenyl)propanamide
CID 4079890
N-(3-amino-4-chlorophenyl)-3-(2-hydroxyethylsulfanyl)propanamide
CID 43617463
(4-ethenylphenyl)carbamic acid
CID 22352089
2-amino-N-[2-(4-ethenylanilino)-2-oxoethyl]acetamide
CID 143732888
2-(2,2-dihydroxyethoxy)-N-(4-ethenylphenyl)acetamide
CID 163784591
N-(4-amino-2-chlorophenyl)-3-(2-hydroxyethylsulfanyl)propanamide
CID 43617467
2-(2-hydroxyethylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
CID 43392397
4-hydroxy-N-(4-methylsulfanylphenyl)butanamide
CID 79204834
1-(4-ethenylphenyl)-3-[6-[(4-ethenylphenyl)carbamoylamino]hexyl]urea
CID 11704173
3-(3-aminobutylsulfanyl)-N-(4-cyanophenyl)propanamide
CID 66232376

Frequently Asked Questions

What is the IUPAC name of N-(4-ethenylphenyl)-3-(2-hydroxyethylsulfanyl)propanamide?
The IUPAC name of N-(4-ethenylphenyl)-3-(2-hydroxyethylsulfanyl)propanamide (CID 91710777) is N-(4-ethenylphenyl)-3-(2-hydroxyethylsulfanyl)propanamide.
What is the SMILES notation for N-(4-ethenylphenyl)-3-(2-hydroxyethylsulfanyl)propanamide?
The canonical SMILES for N-(4-ethenylphenyl)-3-(2-hydroxyethylsulfanyl)propanamide is C=Cc1ccc(NC(=O)CCSCCO)cc1.
What is the InChIKey of N-(4-ethenylphenyl)-3-(2-hydroxyethylsulfanyl)propanamide?
The InChIKey is HERVEMNESYAUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-2-11-3-5-12(6-4-11)14-13(16)7-9-17-10-8-15/h2-6,15H,1,7-10H2,(H,14,16).
What are the key properties of N-(4-ethenylphenyl)-3-(2-hydroxyethylsulfanyl)propanamide?
N-(4-ethenylphenyl)-3-(2-hydroxyethylsulfanyl)propanamide has a molecular weight of 251.35 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethenylphenyl)-3-(2-hydroxyethylsulfanyl)propanamide is sourced from PubChem (CID 91710777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).