(E)-N-[2-cyanoethyl(2-phenylethyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide

C19H19N3OS2 — CID 54790300

IUPAC(E)-N-[2-cyanoethyl(2-phenylethyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
SMILESN#CCCN(CCc1ccccc1)C(=S)NC(=O)/C=C/c1cccs1
InChIInChI=1S/C19H19N3OS2/c20-12-5-13-22(14-11-16-6-2-1-3-7-16)19(24)21-18(23)10-9-17-8-4-15-25-17/h1-4,6-10,15H,5,11,13-14H2,(H,21,23,24)/b10-9+
InChIKeyFUOIGEQYYLYRAW-MDZDMXLPSA-N
MW369.52 g/mol
LogP3.62
Rot. Bonds7

About (E)-N-[2-cyanoethyl(2-phenylethyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[2-cyanoethyl(2-phenylethyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 54790300) has the molecular formula C19H19N3OS2 and a molecular weight of 369.52 g/mol. Its IUPAC name is (E)-N-[2-cyanoethyl(2-phenylethyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-cyanoethyl(2-phenylethyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID54790300
Molecular FormulaC19H19N3OS2
Molecular Weight369.52 g/mol
Exact Mass369.10
IUPAC Name(E)-N-[2-cyanoethyl(2-phenylethyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
SMILESN#CCCN(CCc1ccccc1)C(=S)NC(=O)/C=C/c1cccs1
InChIInChI=1S/C19H19N3OS2/c20-12-5-13-22(14-11-16-6-2-1-3-7-16)19(24)21-18(23)10-9-17-8-4-15-25-17/h1-4,6-10,15H,5,11,13-14H2,(H,21,23,24)/b10-9+
InChIKeyFUOIGEQYYLYRAW-MDZDMXLPSA-N
XLogP3.62
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.52
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-[2-cyanoethyl(2-phenylethyl)carbamothioyl]-3-thiophen-2-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

Related Compounds

(E)-N-[2-cyanoethyl(2-phenylethyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 54790638
(E)-N,N-bis(2-cyanoethyl)-3-thiophen-2-ylprop-2-enamide
CID 47109319
(E)-N-[2-cyanoethyl(2-phenylethyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide
CID 54790301
(E)-N-[benzyl(phenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 44825151
N-[benzyl(2-cyanoethyl)carbamothioyl]thiophene-2-carboxamide
CID 43911955
N-[benzyl(2-cyanoethyl)carbamothioyl]-3-(2-chlorophenyl)prop-2-enamide
CID 74906276
(E)-N-[benzyl(2-cyanoethyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide
CID 43912068
N-[2-cyanoethyl(2-phenylethyl)carbamothioyl]-3-cyclohexylpropanamide
CID 54790408
(E)-N-[(1-benzylpiperidin-1-ium-4-yl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 7272296
N-[benzyl(2-cyanoethyl)carbamothioyl]-2-phenylacetamide
CID 43911967
N-[2-cyanoethyl(2-phenylethyl)carbamothioyl]-3-(2-phenylethoxy)benzamide
CID 54790667
N-benzyl-4-oxo-4-[2-(3-thiophen-2-ylprop-2-enoylcarbamothioyl)hydrazinyl]butanamide
CID 5208268

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-cyanoethyl(2-phenylethyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-cyanoethyl(2-phenylethyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide (CID 54790300) is (E)-N-[2-cyanoethyl(2-phenylethyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-cyanoethyl(2-phenylethyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-cyanoethyl(2-phenylethyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide is N#CCCN(CCc1ccccc1)C(=S)NC(=O)/C=C/c1cccs1.
What is the InChIKey of (E)-N-[2-cyanoethyl(2-phenylethyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is FUOIGEQYYLYRAW-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H19N3OS2/c20-12-5-13-22(14-11-16-6-2-1-3-7-16)19(24)21-18(23)10-9-17-8-4-15-25-17/h1-4,6-10,15H,5,11,13-14H2,(H,21,23,24)/b10-9+.
What are the key properties of (E)-N-[2-cyanoethyl(2-phenylethyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[2-cyanoethyl(2-phenylethyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 369.52 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-cyanoethyl(2-phenylethyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 54790300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).