(2E,4E)-N-(2-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide

C17H22N2O3S — CID 60549459

IUPAC(2E,4E)-N-(2-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C17H22N2O3S/c1-2-3-5-12-17(20)18-15-10-6-7-11-16(15)23(21,22)19-13-8-4-9-14-19/h2-3,5-7,10-12H,4,8-9,13-14H2,1H3,(H,18,20)/b3-2+,12-5+
InChIKeyNWUFNQHMFJNHCT-AYFNZWQASA-N
MW334.44 g/mol
LogP2.93
Rot. Bonds5

About (2E,4E)-N-(2-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide

(2E,4E)-N-(2-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide (PubChem CID 60549459) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is (2E,4E)-N-(2-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(2-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide
PubChem CID60549459
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name(2E,4E)-N-(2-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C17H22N2O3S/c1-2-3-5-12-17(20)18-15-10-6-7-11-16(15)23(21,22)19-13-8-4-9-14-19/h2-3,5-7,10-12H,4,8-9,13-14H2,1H3,(H,18,20)/b3-2+,12-5+
InChIKeyNWUFNQHMFJNHCT-AYFNZWQASA-N
XLogP2.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.93
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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Related Compounds

(E)-3-(4-ethoxyphenyl)-N-(2-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 60549387
(2E,4E)-N-(3-pyrrolidin-1-ylsulfonylphenyl)hexa-2,4-dienamide
CID 9415021
(E)-3-(3-nitrophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 52662791
(2E,4E)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide
CID 18287293
(2E,4E)-N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]hexa-2,4-dienamide
CID 108736448
5-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 55920724
2-(4-acetamidophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide
CID 55921108
4-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 60549411
(2Z,4E)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]hexa-2,4-dienamide
CID 99927510
1-methyl-4-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide
CID 55919434
4,5-dichloro-1-methyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide
CID 55919824
4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide
CID 55817431

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(2-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(2-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide (CID 60549459) is (2E,4E)-N-(2-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(2-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(2-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide is C/C=C/C=C/C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of (2E,4E)-N-(2-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide?
The InChIKey is NWUFNQHMFJNHCT-AYFNZWQASA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-2-3-5-12-17(20)18-15-10-6-7-11-16(15)23(21,22)19-13-8-4-9-14-19/h2-3,5-7,10-12H,4,8-9,13-14H2,1H3,(H,18,20)/b3-2+,12-5+.
What are the key properties of (2E,4E)-N-(2-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide?
(2E,4E)-N-(2-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide has a molecular weight of 334.44 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(2-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide is sourced from PubChem (CID 60549459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).