N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide

C14H10N2OS — CID 3662028

IUPACN-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
SMILESN#Cc1ccc(NC(=O)C=Cc2cccs2)cc1
InChIInChI=1S/C14H10N2OS/c15-10-11-3-5-12(6-4-11)16-14(17)8-7-13-2-1-9-18-13/h1-9H,(H,16,17)
InChIKeyZRXCKJQNGQUPHX-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.27
Rot. Bonds3

About N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide

N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 3662028) has the molecular formula C14H10N2OS and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID3662028
Molecular FormulaC14H10N2OS
Molecular Weight254.31 g/mol
Exact Mass254.05
IUPAC NameN-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
SMILESN#Cc1ccc(NC(=O)C=Cc2cccs2)cc1
InChIInChI=1S/C14H10N2OS/c15-10-11-3-5-12(6-4-11)16-14(17)8-7-13-2-1-9-18-13/h1-9H,(H,16,17)
InChIKeyZRXCKJQNGQUPHX-UHFFFAOYSA-N
XLogP3.27
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.27
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)-N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 2389446
(E)-N-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 28739526
(E)-3-thiophen-2-yl-N-[4-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide
CID 2165477
N-[4-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 3336553
(E)-N-[4-(2-hydroxyethyl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 110902147
N-(2-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 699898
(E)-N-(4-prop-2-enoxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 6235270
(E)-N-(4-cyanophenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 26289833
N-naphthalen-2-yl-3-thiophen-2-ylprop-2-enamide
CID 3594199
(E)-N-(4-heptoxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 6235244
N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922899
(E)-N-[4-(3-methylbutoxy)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 6235211

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide (CID 3662028) is N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide is N#Cc1ccc(NC(=O)C=Cc2cccs2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is ZRXCKJQNGQUPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS/c15-10-11-3-5-12(6-4-11)16-14(17)8-7-13-2-1-9-18-13/h1-9H,(H,16,17).
What are the key properties of N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide?
N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 254.31 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 3662028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).