(Z)-2-cyano-3-(N-methylanilino)-N-(4-sulfamoylphenyl)prop-2-enamide

C17H16N4O3S — CID 108841875

IUPAC(Z)-2-cyano-3-(N-methylanilino)-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESCN(/C=C(/C#N)C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C17H16N4O3S/c1-21(15-5-3-2-4-6-15)12-13(11-18)17(22)20-14-7-9-16(10-8-14)25(19,23)24/h2-10,12H,1H3,(H,20,22)(H2,19,23,24)/b13-12-
InChIKeyURROWGOGZZYQMC-SEYXRHQNSA-N
MW356.41 g/mol
LogP1.82
Rot. Bonds5

About (Z)-2-cyano-3-(N-methylanilino)-N-(4-sulfamoylphenyl)prop-2-enamide

(Z)-2-cyano-3-(N-methylanilino)-N-(4-sulfamoylphenyl)prop-2-enamide (PubChem CID 108841875) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is (Z)-2-cyano-3-(N-methylanilino)-N-(4-sulfamoylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(N-methylanilino)-N-(4-sulfamoylphenyl)prop-2-enamide
PubChem CID108841875
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name(Z)-2-cyano-3-(N-methylanilino)-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESCN(/C=C(/C#N)C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C17H16N4O3S/c1-21(15-5-3-2-4-6-15)12-13(11-18)17(22)20-14-7-9-16(10-8-14)25(19,23)24/h2-10,12H,1H3,(H,20,22)(H2,19,23,24)/b13-12-
InChIKeyURROWGOGZZYQMC-SEYXRHQNSA-N
XLogP1.82
TPSA116.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 51.82
H-Bond Donors ≤ 52
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

N'-methyl-N'-phenyl-N-(4-sulfamoylphenyl)oxamide
CID 108508706
(Z)-2-cyano-3-(dimethylamino)-N-phenylprop-2-enamide
CID 22301644
(Z)-N-(4-chloro-3-nitrophenyl)-2-cyano-3-(N-methylanilino)prop-2-enamide
CID 108852267
(Z)-2-cyano-N-(4-fluorophenyl)-3-(4-hydroxy-N-methylanilino)prop-2-enamide
CID 108851968
(Z)-2-cyano-3-(4-fluoroanilino)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 108841821
(Z)-2-cyano-3-(N-methylanilino)-N-(2-phenylsulfanylphenyl)prop-2-enamide
CID 108857116
(Z)-2-cyano-3-[(2-methylphenyl)methylamino]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 108842053
(E)-2-cyano-3-(furan-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 788171
(Z)-2-cyano-3-(2,2-dimethoxyethylamino)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 108841963
(Z)-N-(5-chloro-2-methylphenyl)-2-cyano-3-(N-methylanilino)prop-2-enamide
CID 108850039
(E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(4-sulfamoylphenyl)prop-2-enamide
CID 1070910
(E)-2-cyano-3-(2-ethyl-1-benzofuran-3-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 9334274

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(N-methylanilino)-N-(4-sulfamoylphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(N-methylanilino)-N-(4-sulfamoylphenyl)prop-2-enamide (CID 108841875) is (Z)-2-cyano-3-(N-methylanilino)-N-(4-sulfamoylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(N-methylanilino)-N-(4-sulfamoylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(N-methylanilino)-N-(4-sulfamoylphenyl)prop-2-enamide is CN(/C=C(/C#N)C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1.
What is the InChIKey of (Z)-2-cyano-3-(N-methylanilino)-N-(4-sulfamoylphenyl)prop-2-enamide?
The InChIKey is URROWGOGZZYQMC-SEYXRHQNSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-21(15-5-3-2-4-6-15)12-13(11-18)17(22)20-14-7-9-16(10-8-14)25(19,23)24/h2-10,12H,1H3,(H,20,22)(H2,19,23,24)/b13-12-.
What are the key properties of (Z)-2-cyano-3-(N-methylanilino)-N-(4-sulfamoylphenyl)prop-2-enamide?
(Z)-2-cyano-3-(N-methylanilino)-N-(4-sulfamoylphenyl)prop-2-enamide has a molecular weight of 356.41 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(N-methylanilino)-N-(4-sulfamoylphenyl)prop-2-enamide is sourced from PubChem (CID 108841875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).