(E)-3-phenyl-N-[2-(2-propylsulfanylethylamino)ethyl]prop-2-enamide

C16H24N2OS — CID 134141578

IUPAC(E)-3-phenyl-N-[2-(2-propylsulfanylethylamino)ethyl]prop-2-enamide
SMILESCCCSCCNCCNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C16H24N2OS/c1-2-13-20-14-12-17-10-11-18-16(19)9-8-15-6-4-3-5-7-15/h3-9,17H,2,10-14H2,1H3,(H,18,19)/b9-8+
InChIKeyUBEVHISYPCOBAY-CMDGGOBGSA-N
MW292.45 g/mol
LogP2.55
Rot. Bonds10

About (E)-3-phenyl-N-[2-(2-propylsulfanylethylamino)ethyl]prop-2-enamide

(E)-3-phenyl-N-[2-(2-propylsulfanylethylamino)ethyl]prop-2-enamide (PubChem CID 134141578) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is (E)-3-phenyl-N-[2-(2-propylsulfanylethylamino)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-[2-(2-propylsulfanylethylamino)ethyl]prop-2-enamide
PubChem CID134141578
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name(E)-3-phenyl-N-[2-(2-propylsulfanylethylamino)ethyl]prop-2-enamide
SMILESCCCSCCNCCNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C16H24N2OS/c1-2-13-20-14-12-17-10-11-18-16(19)9-8-15-6-4-3-5-7-15/h3-9,17H,2,10-14H2,1H3,(H,18,19)/b9-8+
InChIKeyUBEVHISYPCOBAY-CMDGGOBGSA-N
XLogP2.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-N-[2-(3-phenylprop-2-enoylamino)ethyl]prop-2-enamide
CID 267664
N-[2-(benzylthio)ethyl]-3-phenylacrylamide
CID 2284565
N-[2-(tert-butylthio)ethyl]-3-(4-fluorophenyl)acrylamide
CID 2287752
N-(2-tert-butylsulfanylethyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2289294
2-methyl-N-(2-oxotetrahydro-3-thienyl)-3-phenylacrylamide
CID 5737635
2-(Benzhydrylthio)-N-butylacetamide
CID 60352130
S-[3-oxo-3-[[4-oxo-4-(2-phenylethylamino)butyl]amino]propyl] ethanethioate
CID 90024758
N1-[2-(tert-butylthio)ethyl]-3-phenylacrylamide
CID 5713908
S-(2-Acetamidoethyl) benzenecarbothioate
CID 281604
(E)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 6000766
2-[(diphenylmethyl)sulfanyl]-N-(prop-2-en-1-yl)acetamide
CID 47003831
(5Z)-3-(2-aminoethyl)-5-(3-phenylpropylidene)-1,3-thiazolidine-2,4-dione
CID 49863169

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-[2-(2-propylsulfanylethylamino)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-[2-(2-propylsulfanylethylamino)ethyl]prop-2-enamide (CID 134141578) is (E)-3-phenyl-N-[2-(2-propylsulfanylethylamino)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-[2-(2-propylsulfanylethylamino)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-[2-(2-propylsulfanylethylamino)ethyl]prop-2-enamide is CCCSCCNCCNC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-3-phenyl-N-[2-(2-propylsulfanylethylamino)ethyl]prop-2-enamide?
The InChIKey is UBEVHISYPCOBAY-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-2-13-20-14-12-17-10-11-18-16(19)9-8-15-6-4-3-5-7-15/h3-9,17H,2,10-14H2,1H3,(H,18,19)/b9-8+.
What are the key properties of (E)-3-phenyl-N-[2-(2-propylsulfanylethylamino)ethyl]prop-2-enamide?
(E)-3-phenyl-N-[2-(2-propylsulfanylethylamino)ethyl]prop-2-enamide has a molecular weight of 292.45 g/mol, XLogP of 2.55, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-[2-(2-propylsulfanylethylamino)ethyl]prop-2-enamide is sourced from PubChem (CID 134141578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).