(2E,4E)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]hexa-2,4-dienamide

C16H22N2O3S — CID 9219955

IUPAC(2E,4E)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1
InChIInChI=1S/C16H22N2O3S/c1-5-6-7-8-16(19)17-14-9-11-15(12-10-14)22(20,21)18(4)13(2)3/h5-13H,1-4H3,(H,17,19)/b6-5+,8-7+
InChIKeyITKBEDWHMXMCME-BSWSSELBSA-N
MW322.43 g/mol
LogP2.79
Rot. Bonds6

About (2E,4E)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]hexa-2,4-dienamide

(2E,4E)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]hexa-2,4-dienamide (PubChem CID 9219955) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is (2E,4E)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]hexa-2,4-dienamide
PubChem CID9219955
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name(2E,4E)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1
InChIInChI=1S/C16H22N2O3S/c1-5-6-7-8-16(19)17-14-9-11-15(12-10-14)22(20,21)18(4)13(2)3/h5-13H,1-4H3,(H,17,19)/b6-5+,8-7+
InChIKeyITKBEDWHMXMCME-BSWSSELBSA-N
XLogP2.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]hexa-2,4-dienamide (CID 9219955) is (2E,4E)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]hexa-2,4-dienamide is C/C=C/C=C/C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1.
What is the InChIKey of (2E,4E)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]hexa-2,4-dienamide?
The InChIKey is ITKBEDWHMXMCME-BSWSSELBSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-5-6-7-8-16(19)17-14-9-11-15(12-10-14)22(20,21)18(4)13(2)3/h5-13H,1-4H3,(H,17,19)/b6-5+,8-7+.
What are the key properties of (2E,4E)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]hexa-2,4-dienamide?
(2E,4E)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]hexa-2,4-dienamide has a molecular weight of 322.43 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]hexa-2,4-dienamide is sourced from PubChem (CID 9219955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).