(E)-2-cyano-3-[2-(pyridin-2-ylmethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide

C22H18N4O4S — CID 24628108

IUPAC(E)-2-cyano-3-[2-(pyridin-2-ylmethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESN#C/C(=C\c1ccccc1OCc1ccccn1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C22H18N4O4S/c23-14-17(22(27)26-18-8-10-20(11-9-18)31(24,28)29)13-16-5-1-2-7-21(16)30-15-19-6-3-4-12-25-19/h1-13H,15H2,(H,26,27)(H2,24,28,29)/b17-13+
InChIKeyZDLJJUBZZIWQBI-GHRIWEEISA-N
MW434.48 g/mol
LogP2.85
Rot. Bonds7

About (E)-2-cyano-3-[2-(pyridin-2-ylmethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide

(E)-2-cyano-3-[2-(pyridin-2-ylmethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide (PubChem CID 24628108) has the molecular formula C22H18N4O4S and a molecular weight of 434.48 g/mol. Its IUPAC name is (E)-2-cyano-3-[2-(pyridin-2-ylmethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-[2-(pyridin-2-ylmethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
PubChem CID24628108
Molecular FormulaC22H18N4O4S
Molecular Weight434.48 g/mol
Exact Mass434.10
IUPAC Name(E)-2-cyano-3-[2-(pyridin-2-ylmethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESN#C/C(=C\c1ccccc1OCc1ccccn1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C22H18N4O4S/c23-14-17(22(27)26-18-8-10-20(11-9-18)31(24,28)29)13-16-5-1-2-7-21(16)30-15-19-6-3-4-12-25-19/h1-13H,15H2,(H,26,27)(H2,24,28,29)/b17-13+
InChIKeyZDLJJUBZZIWQBI-GHRIWEEISA-N
XLogP2.85
TPSA135.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-3-[2-(naphthalen-1-ylmethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 5437836
4-[[(E)-2-cyano-3-(2-phenylmethoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 7912238
2-cyano-3-(2-phenylmethoxyphenyl)-N-pyridin-2-ylprop-2-enamide
CID 4878324
2-cyano-3-(4-methoxy-3-phenylmethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 1070945
(E)-2-cyano-3-(3-methoxy-4-phenylmethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 1070943
2-cyano-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(2-phenylmethoxyphenyl)prop-2-enamide
CID 4662351
(E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(4-sulfamoylphenyl)prop-2-enamide
CID 1070910
[2-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]phenyl] benzenesulfonate
CID 96892840
(E)-3-[2-[(4-bromophenyl)methoxy]phenyl]-2-cyano-N-(4-nitrophenyl)prop-2-enamide
CID 6114679
2-cyano-3-(2-prop-2-enoxyphenyl)-N-pyridin-2-ylprop-2-enamide
CID 3282838
propyl 4-[[(E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoyl]amino]benzoate
CID 19206665
[2-[(E)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] benzenesulfonate
CID 126076256

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-[2-(pyridin-2-ylmethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-[2-(pyridin-2-ylmethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide (CID 24628108) is (E)-2-cyano-3-[2-(pyridin-2-ylmethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-[2-(pyridin-2-ylmethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-[2-(pyridin-2-ylmethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide is N#C/C(=C\c1ccccc1OCc1ccccn1)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of (E)-2-cyano-3-[2-(pyridin-2-ylmethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide?
The InChIKey is ZDLJJUBZZIWQBI-GHRIWEEISA-N. The full InChI is InChI=1S/C22H18N4O4S/c23-14-17(22(27)26-18-8-10-20(11-9-18)31(24,28)29)13-16-5-1-2-7-21(16)30-15-19-6-3-4-12-25-19/h1-13H,15H2,(H,26,27)(H2,24,28,29)/b17-13+.
What are the key properties of (E)-2-cyano-3-[2-(pyridin-2-ylmethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide?
(E)-2-cyano-3-[2-(pyridin-2-ylmethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide has a molecular weight of 434.48 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-[2-(pyridin-2-ylmethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide is sourced from PubChem (CID 24628108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).