3-(4-prop-2-enylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide

C17H17NOS — CID 135281357

IUPAC3-(4-prop-2-enylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESC=CCc1ccc(C=CC(=O)NCc2cccs2)cc1
InChIInChI=1S/C17H17NOS/c1-2-4-14-6-8-15(9-7-14)10-11-17(19)18-13-16-5-3-12-20-16/h2-3,5-12H,1,4,13H2,(H,18,19)
InChIKeyZQUBCLWNRIQUPF-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.81
Rot. Bonds6

About 3-(4-prop-2-enylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide

3-(4-prop-2-enylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide (PubChem CID 135281357) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-(4-prop-2-enylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-prop-2-enylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
PubChem CID135281357
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name3-(4-prop-2-enylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESC=CCc1ccc(C=CC(=O)NCc2cccs2)cc1
InChIInChI=1S/C17H17NOS/c1-2-4-14-6-8-15(9-7-14)10-11-17(19)18-13-16-5-3-12-20-16/h2-3,5-12H,1,4,13H2,(H,18,19)
InChIKeyZQUBCLWNRIQUPF-UHFFFAOYSA-N
XLogP3.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.81
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'}

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Related Compounds

(E)-3-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 2675110
3-[4-[(4-bromophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 1472309
N-cyclopropyl-4-[(E)-3-oxo-3-(thiophen-2-ylmethylamino)prop-1-enyl]benzamide
CID 35561461
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
3-(5-methylfuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 3354969
1-prop-2-enyl-3-(thiophen-2-ylmethyl)urea
CID 110706901
(E)-3-(3-methoxy-4-propoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 29437112
(E)-3-phenyl-N-(2-thiophen-2-ylacetyl)prop-2-enamide
CID 70155675
(E)-3-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 26189419
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 32983057
(E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-phenylprop-2-enamide
CID 90612120
2-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 78806113

Frequently Asked Questions

What is the IUPAC name of 3-(4-prop-2-enylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The IUPAC name of 3-(4-prop-2-enylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide (CID 135281357) is 3-(4-prop-2-enylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for 3-(4-prop-2-enylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The canonical SMILES for 3-(4-prop-2-enylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide is C=CCc1ccc(C=CC(=O)NCc2cccs2)cc1.
What is the InChIKey of 3-(4-prop-2-enylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The InChIKey is ZQUBCLWNRIQUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-2-4-14-6-8-15(9-7-14)10-11-17(19)18-13-16-5-3-12-20-16/h2-3,5-12H,1,4,13H2,(H,18,19).
What are the key properties of 3-(4-prop-2-enylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
3-(4-prop-2-enylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide has a molecular weight of 283.40 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-prop-2-enylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 135281357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).