(Z)-3-[4-(4-chlorophenyl)sulfanylphenyl]-2-cyano-N-(2-ethylphenyl)prop-2-enamide

C24H19ClN2OS — CID 126102160

IUPAC(Z)-3-[4-(4-chlorophenyl)sulfanylphenyl]-2-cyano-N-(2-ethylphenyl)prop-2-enamide
SMILESCCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H19ClN2OS/c1-2-18-5-3-4-6-23(18)27-24(28)19(16-26)15-17-7-11-21(12-8-17)29-22-13-9-20(25)10-14-22/h3-15H,2H2,1H3,(H,27,28)/b19-15-
InChIKeyDHNVWNCGCWMGBV-CYVLTUHYSA-N
MW418.95 g/mol
LogP6.60
Rot. Bonds6

About (Z)-3-[4-(4-chlorophenyl)sulfanylphenyl]-2-cyano-N-(2-ethylphenyl)prop-2-enamide

(Z)-3-[4-(4-chlorophenyl)sulfanylphenyl]-2-cyano-N-(2-ethylphenyl)prop-2-enamide (PubChem CID 126102160) has the molecular formula C24H19ClN2OS and a molecular weight of 418.95 g/mol. Its IUPAC name is (Z)-3-[4-(4-chlorophenyl)sulfanylphenyl]-2-cyano-N-(2-ethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[4-(4-chlorophenyl)sulfanylphenyl]-2-cyano-N-(2-ethylphenyl)prop-2-enamide
PubChem CID126102160
Molecular FormulaC24H19ClN2OS
Molecular Weight418.95 g/mol
Exact Mass418.09
IUPAC Name(Z)-3-[4-(4-chlorophenyl)sulfanylphenyl]-2-cyano-N-(2-ethylphenyl)prop-2-enamide
SMILESCCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H19ClN2OS/c1-2-18-5-3-4-6-23(18)27-24(28)19(16-26)15-17-7-11-21(12-8-17)29-22-13-9-20(25)10-14-22/h3-15H,2H2,1H3,(H,27,28)/b19-15-
InChIKeyDHNVWNCGCWMGBV-CYVLTUHYSA-N
XLogP6.60
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.95
LogP ≤ 56.60
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)-3-[4-(4-chlorophenyl)sulfanylphenyl]-2-cyano-N-(2-ethylphenyl)prop-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)-2-cyano-3-(4-ethoxyphenyl)-N-(2-ethylphenyl)prop-2-enamide
CID 19174952
(E)-2-cyano-N-(2-ethylphenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 1278925
3-(4-chlorophenyl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
CID 3254379
3-[4-(4-chlorophenyl)sulfanylphenyl]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
CID 3951523
(Z)-N-(4-bromophenyl)-3-[4-(4-chlorophenyl)sulfanylphenyl]-2-cyanoprop-2-enamide
CID 126109410
(Z)-2-cyano-N-(2-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enamide
CID 124661262
(E)-2-cyano-N-(2-ethylphenyl)-3-(1-methylpyrrol-3-yl)prop-2-enamide
CID 50853543
(Z)-2-cyano-N-(2-ethylphenyl)-3-(1-methylpyrrol-2-yl)prop-2-enamide
CID 126102282
(E)-N-(2-chlorophenyl)-2-cyano-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enamide
CID 24542423
(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(2-ethylanilino)prop-2-enamide
CID 108828959
(Z)-N-(2-chlorophenyl)-2-cyano-3-(2-ethylanilino)prop-2-enamide
CID 108824495
(Z)-N-(4-chlorophenyl)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enamide
CID 1270006

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-(4-chlorophenyl)sulfanylphenyl]-2-cyano-N-(2-ethylphenyl)prop-2-enamide?
The IUPAC name of (Z)-3-[4-(4-chlorophenyl)sulfanylphenyl]-2-cyano-N-(2-ethylphenyl)prop-2-enamide (CID 126102160) is (Z)-3-[4-(4-chlorophenyl)sulfanylphenyl]-2-cyano-N-(2-ethylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-[4-(4-chlorophenyl)sulfanylphenyl]-2-cyano-N-(2-ethylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-[4-(4-chlorophenyl)sulfanylphenyl]-2-cyano-N-(2-ethylphenyl)prop-2-enamide is CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Sc2ccc(Cl)cc2)cc1.
What is the InChIKey of (Z)-3-[4-(4-chlorophenyl)sulfanylphenyl]-2-cyano-N-(2-ethylphenyl)prop-2-enamide?
The InChIKey is DHNVWNCGCWMGBV-CYVLTUHYSA-N. The full InChI is InChI=1S/C24H19ClN2OS/c1-2-18-5-3-4-6-23(18)27-24(28)19(16-26)15-17-7-11-21(12-8-17)29-22-13-9-20(25)10-14-22/h3-15H,2H2,1H3,(H,27,28)/b19-15-.
What are the key properties of (Z)-3-[4-(4-chlorophenyl)sulfanylphenyl]-2-cyano-N-(2-ethylphenyl)prop-2-enamide?
(Z)-3-[4-(4-chlorophenyl)sulfanylphenyl]-2-cyano-N-(2-ethylphenyl)prop-2-enamide has a molecular weight of 418.95 g/mol, XLogP of 6.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4-(4-chlorophenyl)sulfanylphenyl]-2-cyano-N-(2-ethylphenyl)prop-2-enamide is sourced from PubChem (CID 126102160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).