(E)-3-[2-cyano-5-(thiophen-3-ylmethoxy)phenyl]-2-phenylprop-2-enamide

C21H16N2O2S — CID 10570511

IUPAC(E)-3-[2-cyano-5-(thiophen-3-ylmethoxy)phenyl]-2-phenylprop-2-enamide
SMILESN#Cc1ccc(OCc2ccsc2)cc1/C=C(/C(N)=O)c1ccccc1
InChIInChI=1S/C21H16N2O2S/c22-12-17-6-7-19(25-13-15-8-9-26-14-15)10-18(17)11-20(21(23)24)16-4-2-1-3-5-16/h1-11,14H,13H2,(H2,23,24)/b20-11+
InChIKeyZIJVCOYQNOFPRU-RGVLZGJSSA-N
MW360.44 g/mol
LogP4.22
Rot. Bonds6

About (E)-3-[2-cyano-5-(thiophen-3-ylmethoxy)phenyl]-2-phenylprop-2-enamide

(E)-3-[2-cyano-5-(thiophen-3-ylmethoxy)phenyl]-2-phenylprop-2-enamide (PubChem CID 10570511) has the molecular formula C21H16N2O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is (E)-3-[2-cyano-5-(thiophen-3-ylmethoxy)phenyl]-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-cyano-5-(thiophen-3-ylmethoxy)phenyl]-2-phenylprop-2-enamide
PubChem CID10570511
Molecular FormulaC21H16N2O2S
Molecular Weight360.44 g/mol
Exact Mass360.09
IUPAC Name(E)-3-[2-cyano-5-(thiophen-3-ylmethoxy)phenyl]-2-phenylprop-2-enamide
SMILESN#Cc1ccc(OCc2ccsc2)cc1/C=C(/C(N)=O)c1ccccc1
InChIInChI=1S/C21H16N2O2S/c22-12-17-6-7-19(25-13-15-8-9-26-14-15)10-18(17)11-20(21(23)24)16-4-2-1-3-5-16/h1-11,14H,13H2,(H2,23,24)/b20-11+
InChIKeyZIJVCOYQNOFPRU-RGVLZGJSSA-N
XLogP4.22
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Cyano-3,4-bis(4-methoxyphenyl)thiophene-2-carboxamide
CID 2740193
(E)-3-[2-Cyano-5-(thiophen-3-ylmethoxy)-phenyl]-2-phenyl-acrylic acid
CID 10406285
(E)-3-[2-Cyano-5-(thiophen-3-ylmethoxy)-phenyl]-2-o-tolyl-acrylic acid
CID 10595639
(Z)-5-[2-Cyano-5-(thiophen-3-ylmethoxy)-phenyl]-4-phenyl-pent-4-enoic acid
CID 10739089
(E)-3-[2-Cyano-5-(thiophen-3-ylmethoxy)-phenyl]-2-(3-methoxy-phenyl)-acrylic acid
CID 10620470
2-[(E)-3-methoxy-2-(2-methylphenyl)prop-1-enyl]-4-(thiophen-3-ylmethoxy)benzonitrile
CID 10714515
(E)-3-[2-cyano-5-(thiophen-3-ylmethoxy)phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid
CID 11794795
3-[2-Cyano-5-(thiophen-3-ylmethoxy)phenyl]-2-phenylprop-2-enoic acid
CID 49823723
3-[2-Cyano-5-(thiophen-3-ylmethoxy)phenyl]-2-phenylprop-2-enamide
CID 49824147
3-[2-[4-(Cyanomethyl)-3-fluorophenyl]-3-methoxy-6-propan-2-ylphenyl]thiophene-2-carboxamide
CID 123338222
5-[1-[3-Methyl-4-[4-(trifluoromethyl)phenyl]phenoxy]propyl]thiophene-2-carboxamide
CID 141148306
5-[1-[3,5-Dimethyl-4-[4-(trifluoromethyl)phenyl]phenoxy]propyl]thiophene-2-carboxamide
CID 141148321

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-cyano-5-(thiophen-3-ylmethoxy)phenyl]-2-phenylprop-2-enamide?
The IUPAC name of (E)-3-[2-cyano-5-(thiophen-3-ylmethoxy)phenyl]-2-phenylprop-2-enamide (CID 10570511) is (E)-3-[2-cyano-5-(thiophen-3-ylmethoxy)phenyl]-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-[2-cyano-5-(thiophen-3-ylmethoxy)phenyl]-2-phenylprop-2-enamide?
The canonical SMILES for (E)-3-[2-cyano-5-(thiophen-3-ylmethoxy)phenyl]-2-phenylprop-2-enamide is N#Cc1ccc(OCc2ccsc2)cc1/C=C(/C(N)=O)c1ccccc1.
What is the InChIKey of (E)-3-[2-cyano-5-(thiophen-3-ylmethoxy)phenyl]-2-phenylprop-2-enamide?
The InChIKey is ZIJVCOYQNOFPRU-RGVLZGJSSA-N. The full InChI is InChI=1S/C21H16N2O2S/c22-12-17-6-7-19(25-13-15-8-9-26-14-15)10-18(17)11-20(21(23)24)16-4-2-1-3-5-16/h1-11,14H,13H2,(H2,23,24)/b20-11+.
What are the key properties of (E)-3-[2-cyano-5-(thiophen-3-ylmethoxy)phenyl]-2-phenylprop-2-enamide?
(E)-3-[2-cyano-5-(thiophen-3-ylmethoxy)phenyl]-2-phenylprop-2-enamide has a molecular weight of 360.44 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-cyano-5-(thiophen-3-ylmethoxy)phenyl]-2-phenylprop-2-enamide is sourced from PubChem (CID 10570511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).