(Z)-2-cyano-3-(N-methylanilino)-N-(2-phenylsulfanylphenyl)prop-2-enamide

C23H19N3OS — CID 108857116

IUPAC(Z)-2-cyano-3-(N-methylanilino)-N-(2-phenylsulfanylphenyl)prop-2-enamide
SMILESCN(/C=C(/C#N)C(=O)Nc1ccccc1Sc1ccccc1)c1ccccc1
InChIInChI=1S/C23H19N3OS/c1-26(19-10-4-2-5-11-19)17-18(16-24)23(27)25-21-14-8-9-15-22(21)28-20-12-6-3-7-13-20/h2-15,17H,1H3,(H,25,27)/b18-17-
InChIKeyDDIPCDZJYYWDQH-ZCXUNETKSA-N
MW385.49 g/mol
LogP5.32
Rot. Bonds6

About (Z)-2-cyano-3-(N-methylanilino)-N-(2-phenylsulfanylphenyl)prop-2-enamide

(Z)-2-cyano-3-(N-methylanilino)-N-(2-phenylsulfanylphenyl)prop-2-enamide (PubChem CID 108857116) has the molecular formula C23H19N3OS and a molecular weight of 385.49 g/mol. Its IUPAC name is (Z)-2-cyano-3-(N-methylanilino)-N-(2-phenylsulfanylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(N-methylanilino)-N-(2-phenylsulfanylphenyl)prop-2-enamide
PubChem CID108857116
Molecular FormulaC23H19N3OS
Molecular Weight385.49 g/mol
Exact Mass385.12
IUPAC Name(Z)-2-cyano-3-(N-methylanilino)-N-(2-phenylsulfanylphenyl)prop-2-enamide
SMILESCN(/C=C(/C#N)C(=O)Nc1ccccc1Sc1ccccc1)c1ccccc1
InChIInChI=1S/C23H19N3OS/c1-26(19-10-4-2-5-11-19)17-18(16-24)23(27)25-21-14-8-9-15-22(21)28-20-12-6-3-7-13-20/h2-15,17H,1H3,(H,25,27)/b18-17-
InChIKeyDDIPCDZJYYWDQH-ZCXUNETKSA-N
XLogP5.32
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.49
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(N-benzylanilino)-2-cyano-N-(2-phenylsulfanylphenyl)prop-2-enamide
CID 108857183
(Z)-3-(2-bromoanilino)-2-cyano-N-(2-phenylsulfanylphenyl)prop-2-enamide
CID 108857240
(Z)-2-cyano-N-(2-phenylsulfanylphenyl)-3-(2,4,6-trimethylanilino)prop-2-enamide
CID 108857060
(Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2-phenylsulfanylphenyl)prop-2-enamide
CID 108857213
(Z)-2-cyano-3-(2,2-diethoxyethylamino)-N-(2-phenylsulfanylphenyl)prop-2-enamide
CID 108857324
(Z)-2-cyano-3-(4-iodoanilino)-N-(2-phenylsulfanylphenyl)prop-2-enamide
CID 108857244
(Z)-2-cyano-3-(2-cyanoethylamino)-N-(2-phenylsulfanylphenyl)prop-2-enamide
CID 108857325
(Z)-2-cyano-3-(2-hydroxy-5-methylanilino)-N-(2-phenylsulfanylphenyl)prop-2-enamide
CID 108857132
(Z)-N-(5-chloro-2-methylphenyl)-2-cyano-3-(N-methylanilino)prop-2-enamide
CID 108850039
(Z)-2-cyano-3-(2,4-difluoroanilino)-N-(2-phenylsulfanylphenyl)prop-2-enamide
CID 108857281
(Z)-2-cyano-3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-phenylsulfanylphenyl)prop-2-enamide
CID 108857142
(Z)-2-cyano-N-(2-phenylsulfanylphenyl)-3-[4-(trifluoromethyl)anilino]prop-2-enamide
CID 108857280

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(N-methylanilino)-N-(2-phenylsulfanylphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(N-methylanilino)-N-(2-phenylsulfanylphenyl)prop-2-enamide (CID 108857116) is (Z)-2-cyano-3-(N-methylanilino)-N-(2-phenylsulfanylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(N-methylanilino)-N-(2-phenylsulfanylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(N-methylanilino)-N-(2-phenylsulfanylphenyl)prop-2-enamide is CN(/C=C(/C#N)C(=O)Nc1ccccc1Sc1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-2-cyano-3-(N-methylanilino)-N-(2-phenylsulfanylphenyl)prop-2-enamide?
The InChIKey is DDIPCDZJYYWDQH-ZCXUNETKSA-N. The full InChI is InChI=1S/C23H19N3OS/c1-26(19-10-4-2-5-11-19)17-18(16-24)23(27)25-21-14-8-9-15-22(21)28-20-12-6-3-7-13-20/h2-15,17H,1H3,(H,25,27)/b18-17-.
What are the key properties of (Z)-2-cyano-3-(N-methylanilino)-N-(2-phenylsulfanylphenyl)prop-2-enamide?
(Z)-2-cyano-3-(N-methylanilino)-N-(2-phenylsulfanylphenyl)prop-2-enamide has a molecular weight of 385.49 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(N-methylanilino)-N-(2-phenylsulfanylphenyl)prop-2-enamide is sourced from PubChem (CID 108857116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).