(E)-3-(3-cyanophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide

C16H14N2OS — CID 39931408

IUPAC(E)-3-(3-cyanophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide
SMILESN#Cc1cccc(/C=C/C(=O)NCCc2cccs2)c1
InChIInChI=1S/C16H14N2OS/c17-12-14-4-1-3-13(11-14)6-7-16(19)18-9-8-15-5-2-10-20-15/h1-7,10-11H,8-9H2,(H,18,19)/b7-6+
InChIKeyGWHMOBKUYNQVFL-VOTSOKGWSA-N
MW282.37 g/mol
LogP2.99
Rot. Bonds5

About (E)-3-(3-cyanophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide

(E)-3-(3-cyanophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide (PubChem CID 39931408) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is (E)-3-(3-cyanophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-cyanophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide
PubChem CID39931408
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name(E)-3-(3-cyanophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide
SMILESN#Cc1cccc(/C=C/C(=O)NCCc2cccs2)c1
InChIInChI=1S/C16H14N2OS/c17-12-14-4-1-3-13(11-14)6-7-16(19)18-9-8-15-5-2-10-20-15/h1-7,10-11H,8-9H2,(H,18,19)/b7-6+
InChIKeyGWHMOBKUYNQVFL-VOTSOKGWSA-N
XLogP2.99
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.99
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

(E)-3-(3-cyanophenyl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43428090
(E)-3-thiophen-2-yl-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 17407233
(E)-3-(2,6-difluorophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 46492102
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 51298671
2-[[2-[[(E)-3-(3-cyanophenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid
CID 43465441
(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 43008208
3-(3-cyanophenyl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
CID 77022338
(E)-3-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 26189419
(E)-3-(3-cyanophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide
CID 54885145
4-[[(E)-3-(3-cyanophenyl)prop-2-enoyl]amino]-3-methylbutanoic acid
CID 81063460
N-[(3-cyanophenyl)methyl]-4-thiophen-2-ylbutanamide
CID 47161616
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] (E)-3-(3-methylphenyl)prop-2-enoate
CID 9061008

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-cyanophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-cyanophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide (CID 39931408) is (E)-3-(3-cyanophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-cyanophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-cyanophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide is N#Cc1cccc(/C=C/C(=O)NCCc2cccs2)c1.
What is the InChIKey of (E)-3-(3-cyanophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide?
The InChIKey is GWHMOBKUYNQVFL-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H14N2OS/c17-12-14-4-1-3-13(11-14)6-7-16(19)18-9-8-15-5-2-10-20-15/h1-7,10-11H,8-9H2,(H,18,19)/b7-6+.
What are the key properties of (E)-3-(3-cyanophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide?
(E)-3-(3-cyanophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide has a molecular weight of 282.37 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-cyanophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide is sourced from PubChem (CID 39931408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).