(E)-3-(5-methylthiophen-2-yl)-N-(2-phenylethyl)prop-2-enamide

C16H17NOS — CID 43025563

IUPAC(E)-3-(5-methylthiophen-2-yl)-N-(2-phenylethyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCCc2ccccc2)s1
InChIInChI=1S/C16H17NOS/c1-13-7-8-15(19-13)9-10-16(18)17-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,17,18)/b10-9+
InChIKeyGSHOJQWCPKQYOP-MDZDMXLPSA-N
MW271.39 g/mol
LogP3.43
Rot. Bonds5

About (E)-3-(5-methylthiophen-2-yl)-N-(2-phenylethyl)prop-2-enamide

(E)-3-(5-methylthiophen-2-yl)-N-(2-phenylethyl)prop-2-enamide (PubChem CID 43025563) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is (E)-3-(5-methylthiophen-2-yl)-N-(2-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-methylthiophen-2-yl)-N-(2-phenylethyl)prop-2-enamide
PubChem CID43025563
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC Name(E)-3-(5-methylthiophen-2-yl)-N-(2-phenylethyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCCc2ccccc2)s1
InChIInChI=1S/C16H17NOS/c1-13-7-8-15(19-13)9-10-16(18)17-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,17,18)/b10-9+
InChIKeyGSHOJQWCPKQYOP-MDZDMXLPSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-methylthiophen-2-yl)-N-(2-phenylethyl)prop-2-enamide?
The IUPAC name of (E)-3-(5-methylthiophen-2-yl)-N-(2-phenylethyl)prop-2-enamide (CID 43025563) is (E)-3-(5-methylthiophen-2-yl)-N-(2-phenylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-methylthiophen-2-yl)-N-(2-phenylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-methylthiophen-2-yl)-N-(2-phenylethyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)NCCc2ccccc2)s1.
What is the InChIKey of (E)-3-(5-methylthiophen-2-yl)-N-(2-phenylethyl)prop-2-enamide?
The InChIKey is GSHOJQWCPKQYOP-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H17NOS/c1-13-7-8-15(19-13)9-10-16(18)17-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,17,18)/b10-9+.
What are the key properties of (E)-3-(5-methylthiophen-2-yl)-N-(2-phenylethyl)prop-2-enamide?
(E)-3-(5-methylthiophen-2-yl)-N-(2-phenylethyl)prop-2-enamide has a molecular weight of 271.39 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methylthiophen-2-yl)-N-(2-phenylethyl)prop-2-enamide is sourced from PubChem (CID 43025563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).