3-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)-2-phenylprop-2-enamide

C23H21NO2S — CID 2928456

IUPAC3-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)-2-phenylprop-2-enamide
SMILESCOc1ccc(C=C(C(=O)Nc2cccc(SC)c2)c2ccccc2)cc1
InChIInChI=1S/C23H21NO2S/c1-26-20-13-11-17(12-14-20)15-22(18-7-4-3-5-8-18)23(25)24-19-9-6-10-21(16-19)27-2/h3-16H,1-2H3,(H,24,25)
InChIKeyQKUIVNSCAGEDHH-UHFFFAOYSA-N
MW375.49 g/mol
LogP5.60
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)-2-phenylprop-2-enamide

3-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)-2-phenylprop-2-enamide (PubChem CID 2928456) has the molecular formula C23H21NO2S and a molecular weight of 375.49 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)-2-phenylprop-2-enamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)-2-phenylprop-2-enamide
PubChem CID2928456
Molecular FormulaC23H21NO2S
Molecular Weight375.49 g/mol
Exact Mass375.13
IUPAC Name3-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)-2-phenylprop-2-enamide
SMILESCOc1ccc(C=C(C(=O)Nc2cccc(SC)c2)c2ccccc2)cc1
InChIInChI=1S/C23H21NO2S/c1-26-20-13-11-17(12-14-20)15-22(18-7-4-3-5-8-18)23(25)24-19-9-6-10-21(16-19)27-2/h3-16H,1-2H3,(H,24,25)
InChIKeyQKUIVNSCAGEDHH-UHFFFAOYSA-N
XLogP5.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.49
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(Z)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316043
(E)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316041
N-(3-methylsulfanylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 1302186
N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316446
(E)-2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-phenylprop-2-enamide
CID 175523541
methyl 2-[3-[[(E)-2-benzamido-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]sulfanylacetate
CID 19300494
(E)-3-(3-methoxyphenyl)-2-phenyl-N-pyridin-4-ylprop-2-enamide
CID 39953949
N-(2-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 2912906
N-[(Z)-1-(4-fluorophenyl)-3-[3-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 19310605
N-[(E)-3-[3-(2-amino-2-oxoethyl)sulfanylanilino]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19300493
(E)-N-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1321037
3-[4-(difluoromethoxy)phenyl]-N-(3-methylphenyl)-2-phenylprop-2-enamide
CID 3426946

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)-2-phenylprop-2-enamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)-2-phenylprop-2-enamide (CID 2928456) is 3-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)-2-phenylprop-2-enamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)-2-phenylprop-2-enamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)-2-phenylprop-2-enamide is COc1ccc(C=C(C(=O)Nc2cccc(SC)c2)c2ccccc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)-2-phenylprop-2-enamide?
The InChIKey is QKUIVNSCAGEDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2S/c1-26-20-13-11-17(12-14-20)15-22(18-7-4-3-5-8-18)23(25)24-19-9-6-10-21(16-19)27-2/h3-16H,1-2H3,(H,24,25).
What are the key properties of 3-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)-2-phenylprop-2-enamide?
3-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)-2-phenylprop-2-enamide has a molecular weight of 375.49 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)-2-phenylprop-2-enamide is sourced from PubChem (CID 2928456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).