(Z)-N-(4-bromophenyl)-4-oxo-5-[4-(2-sulfamoylphenyl)phenyl]pent-2-enamide

C23H19BrN2O4S — CID 59585475

IUPAC(Z)-N-(4-bromophenyl)-4-oxo-5-[4-(2-sulfamoylphenyl)phenyl]pent-2-enamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(CC(=O)/C=C\C(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C23H19BrN2O4S/c24-18-9-11-19(12-10-18)26-23(28)14-13-20(27)15-16-5-7-17(8-6-16)21-3-1-2-4-22(21)31(25,29)30/h1-14H,15H2,(H,26,28)(H2,25,29,30)/b14-13-
InChIKeyDRZNYBOLPXVCFK-YPKPFQOOSA-N
MW499.39 g/mol
LogP4.07
Rot. Bonds7

About (Z)-N-(4-bromophenyl)-4-oxo-5-[4-(2-sulfamoylphenyl)phenyl]pent-2-enamide

(Z)-N-(4-bromophenyl)-4-oxo-5-[4-(2-sulfamoylphenyl)phenyl]pent-2-enamide (PubChem CID 59585475) has the molecular formula C23H19BrN2O4S and a molecular weight of 499.39 g/mol. Its IUPAC name is (Z)-N-(4-bromophenyl)-4-oxo-5-[4-(2-sulfamoylphenyl)phenyl]pent-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-bromophenyl)-4-oxo-5-[4-(2-sulfamoylphenyl)phenyl]pent-2-enamide
PubChem CID59585475
Molecular FormulaC23H19BrN2O4S
Molecular Weight499.39 g/mol
Exact Mass498.02
IUPAC Name(Z)-N-(4-bromophenyl)-4-oxo-5-[4-(2-sulfamoylphenyl)phenyl]pent-2-enamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(CC(=O)/C=C\C(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C23H19BrN2O4S/c24-18-9-11-19(12-10-18)26-23(28)14-13-20(27)15-16-5-7-17(8-6-16)21-3-1-2-4-22(21)31(25,29)30/h1-14H,15H2,(H,26,28)(H2,25,29,30)/b14-13-
InChIKeyDRZNYBOLPXVCFK-YPKPFQOOSA-N
XLogP4.07
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.39
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-bromo-2-pyridinyl)-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enediamide
CID 73460739
N-[4-(4-bromoanilino)-4-oxobutan-2-yl]-4-(2-sulfamoylphenyl)benzamide
CID 10118630
(1R)-1-N-[(4-bromophenyl)methyl]-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 142837017
1,8-bis(4-bromophenyl)octa-3,5-diene-2,7-dione
CID 71405314
(Z)-4-oxo-5-[4-[[(Z)-4-oxobut-2-enoyl]amino]phenyl]pent-2-enoic acid
CID 157202015
4-[2-(aminomethyl)phenyl]-N-[2-(4-bromoanilino)-2-oxoethyl]benzamide
CID 142065385
3-(1,3-benzodioxol-5-yl)-N-[4-(2-sulfamoylphenyl)phenyl]-1,2-oxazole-5-carboxamide
CID 101339333
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-phenylphenyl)acetamide
CID 100515533
2-(6-bromonaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide;5-methyl-2-naphthalen-2-yl-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 157118926
3-(3-carbamimidoylphenyl)-4,4,4-trifluoro-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide
CID 54421193
N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclohexanecarboxamide
CID 142837148
4-[4-(carboxymethyl)anilino]-4-oxobut-2-enoic acid
CID 53395773

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-bromophenyl)-4-oxo-5-[4-(2-sulfamoylphenyl)phenyl]pent-2-enamide?
The IUPAC name of (Z)-N-(4-bromophenyl)-4-oxo-5-[4-(2-sulfamoylphenyl)phenyl]pent-2-enamide (CID 59585475) is (Z)-N-(4-bromophenyl)-4-oxo-5-[4-(2-sulfamoylphenyl)phenyl]pent-2-enamide.
What is the SMILES notation for (Z)-N-(4-bromophenyl)-4-oxo-5-[4-(2-sulfamoylphenyl)phenyl]pent-2-enamide?
The canonical SMILES for (Z)-N-(4-bromophenyl)-4-oxo-5-[4-(2-sulfamoylphenyl)phenyl]pent-2-enamide is NS(=O)(=O)c1ccccc1-c1ccc(CC(=O)/C=C\C(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of (Z)-N-(4-bromophenyl)-4-oxo-5-[4-(2-sulfamoylphenyl)phenyl]pent-2-enamide?
The InChIKey is DRZNYBOLPXVCFK-YPKPFQOOSA-N. The full InChI is InChI=1S/C23H19BrN2O4S/c24-18-9-11-19(12-10-18)26-23(28)14-13-20(27)15-16-5-7-17(8-6-16)21-3-1-2-4-22(21)31(25,29)30/h1-14H,15H2,(H,26,28)(H2,25,29,30)/b14-13-.
What are the key properties of (Z)-N-(4-bromophenyl)-4-oxo-5-[4-(2-sulfamoylphenyl)phenyl]pent-2-enamide?
(Z)-N-(4-bromophenyl)-4-oxo-5-[4-(2-sulfamoylphenyl)phenyl]pent-2-enamide has a molecular weight of 499.39 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-bromophenyl)-4-oxo-5-[4-(2-sulfamoylphenyl)phenyl]pent-2-enamide is sourced from PubChem (CID 59585475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).