2-[4-(5-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-[(E)-2-phenylethenyl]sulfonylpent-4-enamide

C24H25N5O4S — CID 68511911

IUPAC2-[4-(5-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-[(E)-2-phenylethenyl]sulfonylpent-4-enamide
SMILESC=CCC(C(=O)NS(=O)(=O)/C=C/c1ccccc1)C(=O)N1CCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C24H25N5O4S/c1-2-6-21(23(30)27-34(32,33)16-11-19-7-4-3-5-8-19)24(31)29-14-12-28(13-15-29)22-10-9-20(17-25)18-26-22/h2-5,7-11,16,18,21H,1,6,12-15H2,(H,27,30)/b16-11+
InChIKeyGGXMKAZJGHKRSI-LFIBNONCSA-N
MW479.56 g/mol
LogP1.91
Rot. Bonds8

About 2-[4-(5-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-[(E)-2-phenylethenyl]sulfonylpent-4-enamide

2-[4-(5-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-[(E)-2-phenylethenyl]sulfonylpent-4-enamide (PubChem CID 68511911) has the molecular formula C24H25N5O4S and a molecular weight of 479.56 g/mol. Its IUPAC name is 2-[4-(5-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-[(E)-2-phenylethenyl]sulfonylpent-4-enamide.

Molecular Properties

Compound Name2-[4-(5-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-[(E)-2-phenylethenyl]sulfonylpent-4-enamide
PubChem CID68511911
Molecular FormulaC24H25N5O4S
Molecular Weight479.56 g/mol
Exact Mass479.16
IUPAC Name2-[4-(5-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-[(E)-2-phenylethenyl]sulfonylpent-4-enamide
SMILESC=CCC(C(=O)NS(=O)(=O)/C=C/c1ccccc1)C(=O)N1CCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C24H25N5O4S/c1-2-6-21(23(30)27-34(32,33)16-11-19-7-4-3-5-8-19)24(31)29-14-12-28(13-15-29)22-10-9-20(17-25)18-26-22/h2-5,7-11,16,18,21H,1,6,12-15H2,(H,27,30)/b16-11+
InChIKeyGGXMKAZJGHKRSI-LFIBNONCSA-N
XLogP1.91
TPSA123.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[4-(5-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-[(E)-2-phenylethenyl]sulfonylpent-4-enamide with MolForge

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Related Compounds

4-(5-cyano-2-pyridinyl)-N-prop-2-enylpiperazine-1-carboxamide
CID 47360080
4-(5-cyano-2-pyridinyl)-N-phenylpiperazine-1-carboxamide
CID 2746537
6-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 60551458
6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 153358087
2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(E)-2-phenylethenyl]sulfonylpent-4-enamide
CID 68513097
6-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 94985371
6-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 110420719
6-[4-[(2R)-2-pyrazol-1-ylbutanoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 97151006
6-[4-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 97194787
6-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 56820268
N-ethyl-N'-[(E)-2-phenylethenyl]sulfonyl-2-prop-2-enyl-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 68510437
6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 34010287

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-[(E)-2-phenylethenyl]sulfonylpent-4-enamide?
The IUPAC name of 2-[4-(5-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-[(E)-2-phenylethenyl]sulfonylpent-4-enamide (CID 68511911) is 2-[4-(5-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-[(E)-2-phenylethenyl]sulfonylpent-4-enamide.
What is the SMILES notation for 2-[4-(5-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-[(E)-2-phenylethenyl]sulfonylpent-4-enamide?
The canonical SMILES for 2-[4-(5-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-[(E)-2-phenylethenyl]sulfonylpent-4-enamide is C=CCC(C(=O)NS(=O)(=O)/C=C/c1ccccc1)C(=O)N1CCN(c2ccc(C#N)cn2)CC1.
What is the InChIKey of 2-[4-(5-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-[(E)-2-phenylethenyl]sulfonylpent-4-enamide?
The InChIKey is GGXMKAZJGHKRSI-LFIBNONCSA-N. The full InChI is InChI=1S/C24H25N5O4S/c1-2-6-21(23(30)27-34(32,33)16-11-19-7-4-3-5-8-19)24(31)29-14-12-28(13-15-29)22-10-9-20(17-25)18-26-22/h2-5,7-11,16,18,21H,1,6,12-15H2,(H,27,30)/b16-11+.
What are the key properties of 2-[4-(5-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-[(E)-2-phenylethenyl]sulfonylpent-4-enamide?
2-[4-(5-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-[(E)-2-phenylethenyl]sulfonylpent-4-enamide has a molecular weight of 479.56 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-[(E)-2-phenylethenyl]sulfonylpent-4-enamide is sourced from PubChem (CID 68511911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).