N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-prop-2-enylsulfanylacetamide

C19H27NO3S — CID 51092225

IUPACN-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-prop-2-enylsulfanylacetamide
SMILESC=CCSCC(=O)NCC1(c2ccc(OCC)cc2)CCOCC1
InChIInChI=1S/C19H27NO3S/c1-3-13-24-14-18(21)20-15-19(9-11-22-12-10-19)16-5-7-17(8-6-16)23-4-2/h3,5-8H,1,4,9-15H2,2H3,(H,20,21)
InChIKeyPEKXHVOKBCUSRT-UHFFFAOYSA-N
MW349.50 g/mol
LogP3.17
Rot. Bonds9

About N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-prop-2-enylsulfanylacetamide

N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-prop-2-enylsulfanylacetamide (PubChem CID 51092225) has the molecular formula C19H27NO3S and a molecular weight of 349.50 g/mol. Its IUPAC name is N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-prop-2-enylsulfanylacetamide.

Molecular Properties

Compound NameN-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-prop-2-enylsulfanylacetamide
PubChem CID51092225
Molecular FormulaC19H27NO3S
Molecular Weight349.50 g/mol
Exact Mass349.17
IUPAC NameN-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-prop-2-enylsulfanylacetamide
SMILESC=CCSCC(=O)NCC1(c2ccc(OCC)cc2)CCOCC1
InChIInChI=1S/C19H27NO3S/c1-3-13-24-14-18(21)20-15-19(9-11-22-12-10-19)16-5-7-17(8-6-16)23-4-2/h3,5-8H,1,4,9-15H2,2H3,(H,20,21)
InChIKeyPEKXHVOKBCUSRT-UHFFFAOYSA-N
XLogP3.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-prop-2-enylsulfanylacetamide 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-(cyclopropylmethylamino)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]acetamide;hydrochloride
CID 119749575
3-(4-chlorophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide
CID 60573347
3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 119950588
(2R,6R)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2,6-dimethylpiperidine-1-carboxamide
CID 97333276
3-(4-cyanophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide
CID 60573373
(E)-3-(4-ethoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide
CID 94650415
5-[[4-(4-ethoxyphenyl)oxan-4-yl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685263
(E)-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 98935516
2-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide
CID 120789798
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 100602099
N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide
CID 119749600
ethyl 1-[N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111157195

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-prop-2-enylsulfanylacetamide?
The IUPAC name of N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-prop-2-enylsulfanylacetamide (CID 51092225) is N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-prop-2-enylsulfanylacetamide.
What is the SMILES notation for N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-prop-2-enylsulfanylacetamide?
The canonical SMILES for N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-prop-2-enylsulfanylacetamide is C=CCSCC(=O)NCC1(c2ccc(OCC)cc2)CCOCC1.
What is the InChIKey of N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-prop-2-enylsulfanylacetamide?
The InChIKey is PEKXHVOKBCUSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3S/c1-3-13-24-14-18(21)20-15-19(9-11-22-12-10-19)16-5-7-17(8-6-16)23-4-2/h3,5-8H,1,4,9-15H2,2H3,(H,20,21).
What are the key properties of N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-prop-2-enylsulfanylacetamide?
N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-prop-2-enylsulfanylacetamide has a molecular weight of 349.50 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-prop-2-enylsulfanylacetamide is sourced from PubChem (CID 51092225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).