(2E,4E)-N-[4-(phenylsulfamoyl)phenyl]hexa-2,4-dienamide

C18H18N2O3S — CID 17460381

IUPAC(2E,4E)-N-[4-(phenylsulfamoyl)phenyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H18N2O3S/c1-2-3-5-10-18(21)19-15-11-13-17(14-12-15)24(22,23)20-16-8-6-4-7-9-16/h2-14,20H,1H3,(H,19,21)/b3-2+,10-5+
InChIKeyACCNHGHMWDEIQA-XPQLPGEHSA-N
MW342.42 g/mol
LogP3.56
Rot. Bonds6

About (2E,4E)-N-[4-(phenylsulfamoyl)phenyl]hexa-2,4-dienamide

(2E,4E)-N-[4-(phenylsulfamoyl)phenyl]hexa-2,4-dienamide (PubChem CID 17460381) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is (2E,4E)-N-[4-(phenylsulfamoyl)phenyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-[4-(phenylsulfamoyl)phenyl]hexa-2,4-dienamide
PubChem CID17460381
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name(2E,4E)-N-[4-(phenylsulfamoyl)phenyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H18N2O3S/c1-2-3-5-10-18(21)19-15-11-13-17(14-12-15)24(22,23)20-16-8-6-4-7-9-16/h2-14,20H,1H3,(H,19,21)/b3-2+,10-5+
InChIKeyACCNHGHMWDEIQA-XPQLPGEHSA-N
XLogP3.56
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-oxo-4-[4-(phenylsulfamoyl)anilino]but-2-enoic acid
CID 927105
N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 1329810
3-naphthalen-1-yl-N-[4-(phenylsulfamoyl)phenyl]prop-2-enamide
CID 5157349
4-[[(2Z,4E)-hexa-2,4-dienoyl]amino]benzoic acid
CID 99872148
(2E,4E)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]hexa-2,4-dienamide
CID 9219955
(Z)-N-phenylbut-2-enamide
CID 59909226
(2E,4E)-N-[4-(butylsulfonylamino)phenyl]hexa-2,4-dienamide
CID 75533656
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
3-(2-methoxyphenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 5114432
(2E,4E)-N-[4-(methylcarbamoylamino)phenyl]hexa-2,4-dienamide
CID 47143172
(E)-3-[4-(methylsulfamoyl)phenyl]-N-phenylprop-2-enamide
CID 51280623
2-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 1333349

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[4-(phenylsulfamoyl)phenyl]hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-[4-(phenylsulfamoyl)phenyl]hexa-2,4-dienamide (CID 17460381) is (2E,4E)-N-[4-(phenylsulfamoyl)phenyl]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-[4-(phenylsulfamoyl)phenyl]hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-[4-(phenylsulfamoyl)phenyl]hexa-2,4-dienamide is C/C=C/C=C/C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of (2E,4E)-N-[4-(phenylsulfamoyl)phenyl]hexa-2,4-dienamide?
The InChIKey is ACCNHGHMWDEIQA-XPQLPGEHSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-2-3-5-10-18(21)19-15-11-13-17(14-12-15)24(22,23)20-16-8-6-4-7-9-16/h2-14,20H,1H3,(H,19,21)/b3-2+,10-5+.
What are the key properties of (2E,4E)-N-[4-(phenylsulfamoyl)phenyl]hexa-2,4-dienamide?
(2E,4E)-N-[4-(phenylsulfamoyl)phenyl]hexa-2,4-dienamide has a molecular weight of 342.42 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[4-(phenylsulfamoyl)phenyl]hexa-2,4-dienamide is sourced from PubChem (CID 17460381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).