(E)-N-[6-[4-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide

C26H29N3O3S — CID 155521647

IUPAC(E)-N-[6-[4-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)NCCCCCCc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C26H29N3O3S/c30-26(18-15-23-10-8-19-27-21-23)28-20-7-2-1-4-9-22-13-16-25(17-14-22)33(31,32)29-24-11-5-3-6-12-24/h3,5-6,8,10-19,21,29H,1-2,4,7,9,20H2,(H,28,30)/b18-15+
InChIKeySPPRGAAZUCVQFE-OBGWFSINSA-N
MW463.60 g/mol
LogP4.81
Rot. Bonds12

About (E)-N-[6-[4-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[6-[4-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 155521647) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is (E)-N-[6-[4-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[6-[4-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID155521647
Molecular FormulaC26H29N3O3S
Molecular Weight463.60 g/mol
Exact Mass463.19
IUPAC Name(E)-N-[6-[4-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)NCCCCCCc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C26H29N3O3S/c30-26(18-15-23-10-8-19-27-21-23)28-20-7-2-1-4-9-22-13-16-25(17-14-22)33(31,32)29-24-11-5-3-6-12-24/h3,5-6,8,10-19,21,29H,1-2,4,7,9,20H2,(H,28,30)/b18-15+
InChIKeySPPRGAAZUCVQFE-OBGWFSINSA-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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Frequently Asked Questions

What is the IUPAC name of (E)-N-[6-[4-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[6-[4-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide (CID 155521647) is (E)-N-[6-[4-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[6-[4-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[6-[4-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide is O=C(/C=C/c1cccnc1)NCCCCCCc1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of (E)-N-[6-[4-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is SPPRGAAZUCVQFE-OBGWFSINSA-N. The full InChI is InChI=1S/C26H29N3O3S/c30-26(18-15-23-10-8-19-27-21-23)28-20-7-2-1-4-9-22-13-16-25(17-14-22)33(31,32)29-24-11-5-3-6-12-24/h3,5-6,8,10-19,21,29H,1-2,4,7,9,20H2,(H,28,30)/b18-15+.
What are the key properties of (E)-N-[6-[4-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[6-[4-(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-[4-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 155521647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).