(Z)-3-(3-cyanophenyl)-2-pyridin-4-yl-N-[4-(2-sulfamoylphenyl)phenyl]prop-2-enamide

C27H20N4O3S — CID 70163494

IUPAC(Z)-3-(3-cyanophenyl)-2-pyridin-4-yl-N-[4-(2-sulfamoylphenyl)phenyl]prop-2-enamide
SMILESN#Cc1cccc(/C=C(\C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c2ccncc2)c1
InChIInChI=1S/C27H20N4O3S/c28-18-20-5-3-4-19(16-20)17-25(22-12-14-30-15-13-22)27(32)31-23-10-8-21(9-11-23)24-6-1-2-7-26(24)35(29,33)34/h1-17H,(H,31,32)(H2,29,33,34)/b25-17-
InChIKeyLRWJQBDVYJWJFJ-UQQQWYQISA-N
MW480.55 g/mol
LogP4.45
Rot. Bonds6

About (Z)-3-(3-cyanophenyl)-2-pyridin-4-yl-N-[4-(2-sulfamoylphenyl)phenyl]prop-2-enamide

(Z)-3-(3-cyanophenyl)-2-pyridin-4-yl-N-[4-(2-sulfamoylphenyl)phenyl]prop-2-enamide (PubChem CID 70163494) has the molecular formula C27H20N4O3S and a molecular weight of 480.55 g/mol. Its IUPAC name is (Z)-3-(3-cyanophenyl)-2-pyridin-4-yl-N-[4-(2-sulfamoylphenyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-cyanophenyl)-2-pyridin-4-yl-N-[4-(2-sulfamoylphenyl)phenyl]prop-2-enamide
PubChem CID70163494
Molecular FormulaC27H20N4O3S
Molecular Weight480.55 g/mol
Exact Mass480.13
IUPAC Name(Z)-3-(3-cyanophenyl)-2-pyridin-4-yl-N-[4-(2-sulfamoylphenyl)phenyl]prop-2-enamide
SMILESN#Cc1cccc(/C=C(\C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c2ccncc2)c1
InChIInChI=1S/C27H20N4O3S/c28-18-20-5-3-4-19(16-20)17-25(22-12-14-30-15-13-22)27(32)31-23-10-8-21(9-11-23)24-6-1-2-7-26(24)35(29,33)34/h1-17H,(H,31,32)(H2,29,33,34)/b25-17-
InChIKeyLRWJQBDVYJWJFJ-UQQQWYQISA-N
XLogP4.45
TPSA125.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-3-(3-cyanophenyl)-2-pyridin-3-ylprop-2-enamide
CID 54416844
(E)-N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-3-(3-cyanophenyl)-2-methylprop-2-enamide
CID 22458313
methyl 2-[3-(3-cyanophenyl)-5-[[4-(2-sulfamoylphenyl)phenyl]carbamoyl]-4H-1,2-oxazol-5-yl]acetate
CID 21218714
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
4-(3-amino-4-fluorophenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-3-carboxamide
CID 10183163
1-(3-cyanophenyl)-3-pyridin-4-ylurea
CID 110706525
3-(3,4-dihydroxyphenyl)-2-pyridin-3-yl-N-(4-sulfamoylphenyl)prop-2-enamide;hydrobromide
CID 67690515
3-[(E)-3-oxo-2-pyridin-2-ylbut-1-enyl]benzonitrile
CID 67851267
(E)-2-(3-cyanophenyl)-3-phenylprop-2-enamide
CID 124561936
(E)-2-fluoro-3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide
CID 177496755
4-(3-formamidophenyl)-2-pyridin-3-yl-N-[4-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide
CID 91132916
3-cyano-N-[(4-phenylphenyl)carbamothioyl]benzamide
CID 87470907

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-cyanophenyl)-2-pyridin-4-yl-N-[4-(2-sulfamoylphenyl)phenyl]prop-2-enamide?
The IUPAC name of (Z)-3-(3-cyanophenyl)-2-pyridin-4-yl-N-[4-(2-sulfamoylphenyl)phenyl]prop-2-enamide (CID 70163494) is (Z)-3-(3-cyanophenyl)-2-pyridin-4-yl-N-[4-(2-sulfamoylphenyl)phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-3-(3-cyanophenyl)-2-pyridin-4-yl-N-[4-(2-sulfamoylphenyl)phenyl]prop-2-enamide?
The canonical SMILES for (Z)-3-(3-cyanophenyl)-2-pyridin-4-yl-N-[4-(2-sulfamoylphenyl)phenyl]prop-2-enamide is N#Cc1cccc(/C=C(\C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c2ccncc2)c1.
What is the InChIKey of (Z)-3-(3-cyanophenyl)-2-pyridin-4-yl-N-[4-(2-sulfamoylphenyl)phenyl]prop-2-enamide?
The InChIKey is LRWJQBDVYJWJFJ-UQQQWYQISA-N. The full InChI is InChI=1S/C27H20N4O3S/c28-18-20-5-3-4-19(16-20)17-25(22-12-14-30-15-13-22)27(32)31-23-10-8-21(9-11-23)24-6-1-2-7-26(24)35(29,33)34/h1-17H,(H,31,32)(H2,29,33,34)/b25-17-.
What are the key properties of (Z)-3-(3-cyanophenyl)-2-pyridin-4-yl-N-[4-(2-sulfamoylphenyl)phenyl]prop-2-enamide?
(Z)-3-(3-cyanophenyl)-2-pyridin-4-yl-N-[4-(2-sulfamoylphenyl)phenyl]prop-2-enamide has a molecular weight of 480.55 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-cyanophenyl)-2-pyridin-4-yl-N-[4-(2-sulfamoylphenyl)phenyl]prop-2-enamide is sourced from PubChem (CID 70163494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).