3-(2-methoxyphenyl)-N-(2-phenylethylcarbamothioyl)prop-2-enamide

C19H20N2O2S — CID 3554271

IUPAC3-(2-methoxyphenyl)-N-(2-phenylethylcarbamothioyl)prop-2-enamide
SMILESCOc1ccccc1C=CC(=O)NC(=S)NCCc1ccccc1
InChIInChI=1S/C19H20N2O2S/c1-23-17-10-6-5-9-16(17)11-12-18(22)21-19(24)20-14-13-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3,(H2,20,21,22,24)
InChIKeyZFOJXRIKWJPZHQ-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.94
Rot. Bonds6

About 3-(2-methoxyphenyl)-N-(2-phenylethylcarbamothioyl)prop-2-enamide

3-(2-methoxyphenyl)-N-(2-phenylethylcarbamothioyl)prop-2-enamide (PubChem CID 3554271) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-(2-phenylethylcarbamothioyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-(2-phenylethylcarbamothioyl)prop-2-enamide
PubChem CID3554271
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name3-(2-methoxyphenyl)-N-(2-phenylethylcarbamothioyl)prop-2-enamide
SMILESCOc1ccccc1C=CC(=O)NC(=S)NCCc1ccccc1
InChIInChI=1S/C19H20N2O2S/c1-23-17-10-6-5-9-16(17)11-12-18(22)21-19(24)20-14-13-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3,(H2,20,21,22,24)
InChIKeyZFOJXRIKWJPZHQ-UHFFFAOYSA-N
XLogP2.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(heptylcarbamothioyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 6106605
(E)-3-(2-methoxyphenyl)-N-(prop-2-enylcarbamothioyl)prop-2-enamide
CID 6233109
(E)-3-(2-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 768479
(E)-N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 9217685
N-benzyl-3-(2-methoxyphenyl)prop-2-enamide
CID 2927846
N-[(4-chlorophenyl)carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 926948
N-[(4-acetylphenyl)carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 3347154
N-[(2,5-dimethoxyphenyl)carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 3457464
methyl 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzoate
CID 6151796
3-(2-methoxyphenyl)-N-[[(4-phenylbenzoyl)amino]carbamothioyl]prop-2-enamide
CID 4273508
3-(furan-2-yl)-N-(2-phenylethylcarbamothioyl)prop-2-enamide
CID 5209518
N-[(4-cyanophenyl)carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 926956

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-(2-phenylethylcarbamothioyl)prop-2-enamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-(2-phenylethylcarbamothioyl)prop-2-enamide (CID 3554271) is 3-(2-methoxyphenyl)-N-(2-phenylethylcarbamothioyl)prop-2-enamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-(2-phenylethylcarbamothioyl)prop-2-enamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-(2-phenylethylcarbamothioyl)prop-2-enamide is COc1ccccc1C=CC(=O)NC(=S)NCCc1ccccc1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-(2-phenylethylcarbamothioyl)prop-2-enamide?
The InChIKey is ZFOJXRIKWJPZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-23-17-10-6-5-9-16(17)11-12-18(22)21-19(24)20-14-13-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3,(H2,20,21,22,24).
What are the key properties of 3-(2-methoxyphenyl)-N-(2-phenylethylcarbamothioyl)prop-2-enamide?
3-(2-methoxyphenyl)-N-(2-phenylethylcarbamothioyl)prop-2-enamide has a molecular weight of 340.45 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-(2-phenylethylcarbamothioyl)prop-2-enamide is sourced from PubChem (CID 3554271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).