(E)-3-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide

C15H15NOS2 — CID 2675110

IUPAC(E)-3-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESCSc1ccc(/C=C/C(=O)NCc2cccs2)cc1
InChIInChI=1S/C15H15NOS2/c1-18-13-7-4-12(5-8-13)6-9-15(17)16-11-14-3-2-10-19-14/h2-10H,11H2,1H3,(H,16,17)/b9-6+
InChIKeyPHDROJUVYHUDAB-RMKNXTFCSA-N
MW289.43 g/mol
LogP3.80
Rot. Bonds5

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

(E)-3-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide (PubChem CID 2675110) has the molecular formula C15H15NOS2 and a molecular weight of 289.43 g/mol. Its IUPAC name is (E)-3-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
PubChem CID2675110
Molecular FormulaC15H15NOS2
Molecular Weight289.43 g/mol
Exact Mass289.06
IUPAC Name(E)-3-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESCSc1ccc(/C=C/C(=O)NCc2cccs2)cc1
InChIInChI=1S/C15H15NOS2/c1-18-13-7-4-12(5-8-13)6-9-15(17)16-11-14-3-2-10-19-14/h2-10H,11H2,1H3,(H,16,17)/b9-6+
InChIKeyPHDROJUVYHUDAB-RMKNXTFCSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-prop-2-enylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 135281357
(E)-3-(4-methylsulfanylphenyl)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]prop-2-enamide
CID 86897702
(E)-N-[(5-benzoylthiophen-2-yl)methyl]-3-(4-methylsulfanylphenyl)prop-2-enamide
CID 121132013
N-cyclopropyl-4-[(E)-3-oxo-3-(thiophen-2-ylmethylamino)prop-1-enyl]benzamide
CID 35561461
(Z)-N-(2-hydroxyethyl)-3-(4-methylsulfanylphenyl)prop-2-enamide
CID 141167180
(E)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-methylsulfanylphenyl)prop-2-enamide
CID 71807011
(E)-3-(4-methylsulfanylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]prop-2-enamide
CID 72717700
3-(5-methylfuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 3354969
3-[4-[(4-bromophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 1472309
(E)-3-(3-methoxy-4-propoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 29437112
3-(4-methylsulfanylphenyl)-N-phenylprop-2-enamide
CID 4879248
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide (CID 2675110) is (E)-3-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide is CSc1ccc(/C=C/C(=O)NCc2cccs2)cc1.
What is the InChIKey of (E)-3-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The InChIKey is PHDROJUVYHUDAB-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H15NOS2/c1-18-13-7-4-12(5-8-13)6-9-15(17)16-11-14-3-2-10-19-14/h2-10H,11H2,1H3,(H,16,17)/b9-6+.
What are the key properties of (E)-3-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
(E)-3-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide has a molecular weight of 289.43 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 2675110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).