(E)-N-[6-[3-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide

C26H29N3O3S — CID 155549611

IUPAC(E)-N-[6-[3-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)NCCCCCCc1cccc(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C26H29N3O3S/c30-26(17-16-23-12-9-18-27-21-23)28-19-7-2-1-4-10-22-11-8-15-25(20-22)33(31,32)29-24-13-5-3-6-14-24/h3,5-6,8-9,11-18,20-21,29H,1-2,4,7,10,19H2,(H,28,30)/b17-16+
InChIKeyCIOGIAIMCAHRKF-WUKNDPDISA-N
MW463.60 g/mol
LogP4.81
Rot. Bonds12

About (E)-N-[6-[3-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[6-[3-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 155549611) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is (E)-N-[6-[3-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[6-[3-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID155549611
Molecular FormulaC26H29N3O3S
Molecular Weight463.60 g/mol
Exact Mass463.19
IUPAC Name(E)-N-[6-[3-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)NCCCCCCc1cccc(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C26H29N3O3S/c30-26(17-16-23-12-9-18-27-21-23)28-19-7-2-1-4-10-22-11-8-15-25(20-22)33(31,32)29-24-13-5-3-6-14-24/h3,5-6,8-9,11-18,20-21,29H,1-2,4,7,10,19H2,(H,28,30)/b17-16+
InChIKeyCIOGIAIMCAHRKF-WUKNDPDISA-N
XLogP4.81
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 984333
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N-(3-pyridyl)[3-(pyrrolidinylsulfonyl)phenyl]carboxamide
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N-(4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}phenyl)acetamide
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N-(4-{[(pyridin-4-yl)methyl]sulfamoyl}phenyl)acetamide
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Sulfonamide deriv., 7i
CID 44520905
(E)-2-fluoro-3-[3-(N'-methylcarbamimidoyl)phenyl]-N-[4-(3-sulfamoyl-4-pyridinyl)phenyl]but-2-enamide
CID 44304970
(E)-N-[6-[3-[(2-methylphenyl)sulfamoyl]phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155537916
(E)-N-[6-[3-[(2,5-dimethylphenyl)sulfamoyl]phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155564947
(E)-N-[6-[3-[(4-fluorophenyl)sulfamoyl]phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155565565
3-(piperidin-1-ylsulfonyl)-N-(pyridin-3-yl)benzamide
CID 812621

Frequently Asked Questions

What is the IUPAC name of (E)-N-[6-[3-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[6-[3-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide (CID 155549611) is (E)-N-[6-[3-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[6-[3-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[6-[3-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide is O=C(/C=C/c1cccnc1)NCCCCCCc1cccc(S(=O)(=O)Nc2ccccc2)c1.
What is the InChIKey of (E)-N-[6-[3-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is CIOGIAIMCAHRKF-WUKNDPDISA-N. The full InChI is InChI=1S/C26H29N3O3S/c30-26(17-16-23-12-9-18-27-21-23)28-19-7-2-1-4-10-22-11-8-15-25(20-22)33(31,32)29-24-13-5-3-6-14-24/h3,5-6,8-9,11-18,20-21,29H,1-2,4,7,10,19H2,(H,28,30)/b17-16+.
What are the key properties of (E)-N-[6-[3-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[6-[3-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 463.60 g/mol, XLogP of 4.81, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[6-[3-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 155549611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).