(Z)-2-cyano-N-[(1R)-1-phenylethyl]-3-thiophen-3-ylprop-2-enamide

C16H14N2OS — CID 94841504

IUPAC(Z)-2-cyano-N-[(1R)-1-phenylethyl]-3-thiophen-3-ylprop-2-enamide
SMILESC[C@@H](NC(=O)/C(C#N)=C\c1ccsc1)c1ccccc1
InChIInChI=1S/C16H14N2OS/c1-12(14-5-3-2-4-6-14)18-16(19)15(10-17)9-13-7-8-20-11-13/h2-9,11-12H,1H3,(H,18,19)/b15-9-/t12-/m1/s1
InChIKeyPWYFJLJMFOYSSC-CDCQXCROSA-N
MW282.37 g/mol
LogP3.53
Rot. Bonds4

About (Z)-2-cyano-N-[(1R)-1-phenylethyl]-3-thiophen-3-ylprop-2-enamide

(Z)-2-cyano-N-[(1R)-1-phenylethyl]-3-thiophen-3-ylprop-2-enamide (PubChem CID 94841504) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is (Z)-2-cyano-N-[(1R)-1-phenylethyl]-3-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-[(1R)-1-phenylethyl]-3-thiophen-3-ylprop-2-enamide
PubChem CID94841504
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name(Z)-2-cyano-N-[(1R)-1-phenylethyl]-3-thiophen-3-ylprop-2-enamide
SMILESC[C@@H](NC(=O)/C(C#N)=C\c1ccsc1)c1ccccc1
InChIInChI=1S/C16H14N2OS/c1-12(14-5-3-2-4-6-14)18-16(19)15(10-17)9-13-7-8-20-11-13/h2-9,11-12H,1H3,(H,18,19)/b15-9-/t12-/m1/s1
InChIKeyPWYFJLJMFOYSSC-CDCQXCROSA-N
XLogP3.53
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-2-cyano-N-[(1R)-1-phenylethyl]-3-thiophen-3-ylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-[(1R)-1-phenylethyl]-3-thiophen-3-ylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-[(1R)-1-phenylethyl]-3-thiophen-3-ylprop-2-enamide (CID 94841504) is (Z)-2-cyano-N-[(1R)-1-phenylethyl]-3-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-[(1R)-1-phenylethyl]-3-thiophen-3-ylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-[(1R)-1-phenylethyl]-3-thiophen-3-ylprop-2-enamide is C[C@@H](NC(=O)/C(C#N)=C\c1ccsc1)c1ccccc1.
What is the InChIKey of (Z)-2-cyano-N-[(1R)-1-phenylethyl]-3-thiophen-3-ylprop-2-enamide?
The InChIKey is PWYFJLJMFOYSSC-CDCQXCROSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-12(14-5-3-2-4-6-14)18-16(19)15(10-17)9-13-7-8-20-11-13/h2-9,11-12H,1H3,(H,18,19)/b15-9-/t12-/m1/s1.
What are the key properties of (Z)-2-cyano-N-[(1R)-1-phenylethyl]-3-thiophen-3-ylprop-2-enamide?
(Z)-2-cyano-N-[(1R)-1-phenylethyl]-3-thiophen-3-ylprop-2-enamide has a molecular weight of 282.37 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-[(1R)-1-phenylethyl]-3-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 94841504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).