(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[(4-sulfamoylphenyl)methylamino]prop-2-enamide

C19H20N4O3S — CID 108857857

IUPAC(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[(4-sulfamoylphenyl)methylamino]prop-2-enamide
SMILESCc1ccc(NC(=O)/C(C#N)=C\NCc2ccc(S(N)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C19H20N4O3S/c1-13-3-8-18(14(2)9-13)23-19(24)16(10-20)12-22-11-15-4-6-17(7-5-15)27(21,25)26/h3-9,12,22H,11H2,1-2H3,(H,23,24)(H2,21,25,26)/b16-12-
InChIKeyILGOKLVJPQZKRO-VBKFSLOCSA-N
MW384.46 g/mol
LogP2.09
Rot. Bonds6

About (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[(4-sulfamoylphenyl)methylamino]prop-2-enamide

(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[(4-sulfamoylphenyl)methylamino]prop-2-enamide (PubChem CID 108857857) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[(4-sulfamoylphenyl)methylamino]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[(4-sulfamoylphenyl)methylamino]prop-2-enamide
PubChem CID108857857
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[(4-sulfamoylphenyl)methylamino]prop-2-enamide
SMILESCc1ccc(NC(=O)/C(C#N)=C\NCc2ccc(S(N)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C19H20N4O3S/c1-13-3-8-18(14(2)9-13)23-19(24)16(10-20)12-22-11-15-4-6-17(7-5-15)27(21,25)26/h3-9,12,22H,11H2,1-2H3,(H,23,24)(H2,21,25,26)/b16-12-
InChIKeyILGOKLVJPQZKRO-VBKFSLOCSA-N
XLogP2.09
TPSA125.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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)-2-cyano-N-(4-iodo-2-methylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]prop-2-enamide
CID 108860187
(Z)-2-cyano-N-(2-methylphenyl)-3-[(4-methylphenyl)methylamino]prop-2-enamide
CID 108821400
(Z)-2-cyano-3-[2-(4-sulfamoylphenyl)ethylamino]-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 108851249
(Z)-N-(4-chlorophenyl)-2-cyano-3-[(4-sulfamoylphenyl)methylamino]prop-2-enamide
CID 108860793
(Z)-2-cyano-N-(3,4-dichlorophenyl)-3-[(4-sulfamoylphenyl)methylamino]prop-2-enamide
CID 108821788
4-[[[(Z)-2-cyano-3-(4-hydroxy-2-methylanilino)-3-oxoprop-1-enyl]amino]methyl]benzoic acid
CID 108843339
(Z)-2-cyano-N-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-[(4-sulfamoylphenyl)methylamino]prop-2-enamide
CID 108847796
(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-(2-hydroxypropylamino)prop-2-enamide
CID 108857865
(Z)-2-cyano-3-[(4-sulfamoylphenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 108826261
(Z)-2-cyano-3-[(2-methylphenyl)methylamino]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 108842053
(Z)-2-cyano-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2-methylphenyl)prop-2-enamide
CID 108821597
(Z)-2-cyano-N-cyclopentyl-3-[(4-sulfamoylphenyl)methylamino]prop-2-enamide
CID 108835542

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[(4-sulfamoylphenyl)methylamino]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[(4-sulfamoylphenyl)methylamino]prop-2-enamide (CID 108857857) is (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[(4-sulfamoylphenyl)methylamino]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[(4-sulfamoylphenyl)methylamino]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[(4-sulfamoylphenyl)methylamino]prop-2-enamide is Cc1ccc(NC(=O)/C(C#N)=C\NCc2ccc(S(N)(=O)=O)cc2)c(C)c1.
What is the InChIKey of (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[(4-sulfamoylphenyl)methylamino]prop-2-enamide?
The InChIKey is ILGOKLVJPQZKRO-VBKFSLOCSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-13-3-8-18(14(2)9-13)23-19(24)16(10-20)12-22-11-15-4-6-17(7-5-15)27(21,25)26/h3-9,12,22H,11H2,1-2H3,(H,23,24)(H2,21,25,26)/b16-12-.
What are the key properties of (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[(4-sulfamoylphenyl)methylamino]prop-2-enamide?
(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[(4-sulfamoylphenyl)methylamino]prop-2-enamide has a molecular weight of 384.46 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[(4-sulfamoylphenyl)methylamino]prop-2-enamide is sourced from PubChem (CID 108857857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).