N-[2-(cyclohexen-1-yl)ethyl]-3-phenylsulfanylprop-2-enamide

C17H21NOS — CID 3668106

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-phenylsulfanylprop-2-enamide
SMILESO=C(C=CSc1ccccc1)NCCC1=CCCCC1
InChIInChI=1S/C17H21NOS/c19-17(12-14-20-16-9-5-2-6-10-16)18-13-11-15-7-3-1-4-8-15/h2,5-7,9-10,12,14H,1,3-4,8,11,13H2,(H,18,19)
InChIKeyFHQDDCKUWMIHFE-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.30
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-3-phenylsulfanylprop-2-enamide

N-[2-(cyclohexen-1-yl)ethyl]-3-phenylsulfanylprop-2-enamide (PubChem CID 3668106) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-phenylsulfanylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-phenylsulfanylprop-2-enamide
PubChem CID3668106
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-phenylsulfanylprop-2-enamide
SMILESO=C(C=CSc1ccccc1)NCCC1=CCCCC1
InChIInChI=1S/C17H21NOS/c19-17(12-14-20-16-9-5-2-6-10-16)18-13-11-15-7-3-1-4-8-15/h2,5-7,9-10,12,14H,1,3-4,8,11,13H2,(H,18,19)
InChIKeyFHQDDCKUWMIHFE-UHFFFAOYSA-N
XLogP4.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[2-(cyclohexen-1-yl)ethyl]-3-phenylsulfanylprop-2-enamide 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]-N'-(2-phenylethyl)oxamide
CID 2294960
(E)-N-[2-(cyclohexen-1-yl)ethyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1221490
ethyl 4-[2-(cyclohexen-1-yl)ethylamino]-4-oxobut-2-enoate
CID 3319039
3-(4-tert-butylphenyl)-N-[2-(cyclohexen-1-yl)ethyl]prop-2-enamide
CID 1319876
N-[2-(cyclopenten-1-yl)ethyl]prop-2-enamide
CID 107363227
N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide
CID 71304909
N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide
CID 108942883
(E)-N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 798471
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 43021008
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 33237082
N-[2-(cyclohexen-1-yl)ethyl]-3-phenacylsulfanylbenzamide
CID 84557098
methyl 4-[(E)-3-[2-(cyclohexen-1-yl)ethylamino]-3-oxoprop-1-enyl]benzoate
CID 30500473

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-phenylsulfanylprop-2-enamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-phenylsulfanylprop-2-enamide (CID 3668106) is N-[2-(cyclohexen-1-yl)ethyl]-3-phenylsulfanylprop-2-enamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-phenylsulfanylprop-2-enamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-phenylsulfanylprop-2-enamide is O=C(C=CSc1ccccc1)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-phenylsulfanylprop-2-enamide?
The InChIKey is FHQDDCKUWMIHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c19-17(12-14-20-16-9-5-2-6-10-16)18-13-11-15-7-3-1-4-8-15/h2,5-7,9-10,12,14H,1,3-4,8,11,13H2,(H,18,19).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-phenylsulfanylprop-2-enamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-phenylsulfanylprop-2-enamide has a molecular weight of 287.43 g/mol, XLogP of 4.30, 6 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]-3-phenylsulfanylprop-2-enamide is sourced from PubChem (CID 3668106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).