2-(3-phenylpropylsulfanyl)-N-prop-2-enylacetamide

C14H19NOS — CID 78786828

IUPAC2-(3-phenylpropylsulfanyl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSCCCc1ccccc1
InChIInChI=1S/C14H19NOS/c1-2-10-15-14(16)12-17-11-6-9-13-7-4-3-5-8-13/h2-5,7-8H,1,6,9-12H2,(H,15,16)
InChIKeyXEOMOWYYOCBHET-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.65
Rot. Bonds8

About 2-(3-phenylpropylsulfanyl)-N-prop-2-enylacetamide

2-(3-phenylpropylsulfanyl)-N-prop-2-enylacetamide (PubChem CID 78786828) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-(3-phenylpropylsulfanyl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(3-phenylpropylsulfanyl)-N-prop-2-enylacetamide
PubChem CID78786828
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name2-(3-phenylpropylsulfanyl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSCCCc1ccccc1
InChIInChI=1S/C14H19NOS/c1-2-10-15-14(16)12-17-11-6-9-13-7-4-3-5-8-13/h2-5,7-8H,1,6,9-12H2,(H,15,16)
InChIKeyXEOMOWYYOCBHET-UHFFFAOYSA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide
CID 118398418
3-[2-oxo-2-(3-phenylpropylamino)ethyl]sulfanylpropanoic acid
CID 43091329
2-(benzylamino)-N-prop-2-enylacetamide
CID 11160015
3-[methylsulfonyl(3-phenylpropyl)amino]-N-prop-2-enylpropanamide
CID 113140690
N-[2-oxo-2-(prop-2-enylamino)ethyl]-2-phenylacetamide
CID 9442349
N-(2-phenylethyl)-N'-prop-2-enyloxamide
CID 2058117
N-benzyl-2-butylsulfanylacetamide
CID 112781296
2-[(2-chlorophenyl)methylsulfanyl]-N-prop-2-enylacetamide
CID 78786831
N-(3-phenylpropyl)-3-(prop-2-enylamino)propanamide
CID 70408789
2-(4-phenylbutylsulfanyl)acetamide
CID 10799130
3-(3-phenylpropylsulfanyl)propanoic acid
CID 24691537
N-[1-(4-fluorophenyl)ethyl]-2-(3-phenylpropylsulfanyl)acetamide
CID 47005981

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropylsulfanyl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(3-phenylpropylsulfanyl)-N-prop-2-enylacetamide (CID 78786828) is 2-(3-phenylpropylsulfanyl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(3-phenylpropylsulfanyl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(3-phenylpropylsulfanyl)-N-prop-2-enylacetamide is C=CCNC(=O)CSCCCc1ccccc1.
What is the InChIKey of 2-(3-phenylpropylsulfanyl)-N-prop-2-enylacetamide?
The InChIKey is XEOMOWYYOCBHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-2-10-15-14(16)12-17-11-6-9-13-7-4-3-5-8-13/h2-5,7-8H,1,6,9-12H2,(H,15,16).
What are the key properties of 2-(3-phenylpropylsulfanyl)-N-prop-2-enylacetamide?
2-(3-phenylpropylsulfanyl)-N-prop-2-enylacetamide has a molecular weight of 249.38 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropylsulfanyl)-N-prop-2-enylacetamide is sourced from PubChem (CID 78786828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).