N-[2-(cyclohexen-1-yl)ethyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide

C19H25NOS — CID 55352300

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide
SMILESO=C(CSC/C=C/c1ccccc1)NCCC1=CCCCC1
InChIInChI=1S/C19H25NOS/c21-19(20-14-13-18-10-5-2-6-11-18)16-22-15-7-12-17-8-3-1-4-9-17/h1,3-4,7-10,12H,2,5-6,11,13-16H2,(H,20,21)/b12-7+
InChIKeyKLEPKUSZUUYABT-KPKJPENVSA-N
MW315.48 g/mol
LogP4.44
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide (PubChem CID 55352300) has the molecular formula C19H25NOS and a molecular weight of 315.48 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide
PubChem CID55352300
Molecular FormulaC19H25NOS
Molecular Weight315.48 g/mol
Exact Mass315.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide
SMILESO=C(CSC/C=C/c1ccccc1)NCCC1=CCCCC1
InChIInChI=1S/C19H25NOS/c21-19(20-14-13-18-10-5-2-6-11-18)16-22-15-7-12-17-8-3-1-4-9-17/h1,3-4,7-10,12H,2,5-6,11,13-16H2,(H,20,21)/b12-7+
InChIKeyKLEPKUSZUUYABT-KPKJPENVSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 54.44
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'}

Analyze N-[2-(cyclohexen-1-yl)ethyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide 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

N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108984167
N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide
CID 108942883
ethyl 2-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]sulfanylacetate
CID 78760493
N-[2-(cyclohexen-1-yl)ethyl]-6-[(E)-3-phenylprop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45171503
5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 2932918
N-[2-(cyclohexen-1-yl)ethyl]-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide
CID 126030780
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-phenylpropylamino)acetamide
CID 108993941
2-(benzenesulfonamido)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 112991103
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide
CID 8689455
N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,2-diphenylacetamide
CID 112991069

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide (CID 55352300) is N-[2-(cyclohexen-1-yl)ethyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide is O=C(CSC/C=C/c1ccccc1)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide?
The InChIKey is KLEPKUSZUUYABT-KPKJPENVSA-N. The full InChI is InChI=1S/C19H25NOS/c21-19(20-14-13-18-10-5-2-6-11-18)16-22-15-7-12-17-8-3-1-4-9-17/h1,3-4,7-10,12H,2,5-6,11,13-16H2,(H,20,21)/b12-7+.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide has a molecular weight of 315.48 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide is sourced from PubChem (CID 55352300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).