(E)-N-[5-[3-(phenylsulfamoyl)phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide

C25H27N3O3S — CID 155539825

IUPAC(E)-N-[5-[3-(phenylsulfamoyl)phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)NCCCCCc1cccc(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C25H27N3O3S/c29-25(16-15-22-11-8-17-26-20-22)27-18-6-2-3-9-21-10-7-14-24(19-21)32(30,31)28-23-12-4-1-5-13-23/h1,4-5,7-8,10-17,19-20,28H,2-3,6,9,18H2,(H,27,29)/b16-15+
InChIKeyPSXXASVOQOQBFU-FOCLMDBBSA-N
MW449.58 g/mol
LogP4.42
Rot. Bonds11

About (E)-N-[5-[3-(phenylsulfamoyl)phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[5-[3-(phenylsulfamoyl)phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 155539825) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is (E)-N-[5-[3-(phenylsulfamoyl)phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-[3-(phenylsulfamoyl)phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID155539825
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC Name(E)-N-[5-[3-(phenylsulfamoyl)phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)NCCCCCc1cccc(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C25H27N3O3S/c29-25(16-15-22-11-8-17-26-20-22)27-18-6-2-3-9-21-10-7-14-24(19-21)32(30,31)28-23-12-4-1-5-13-23/h1,4-5,7-8,10-17,19-20,28H,2-3,6,9,18H2,(H,27,29)/b16-15+
InChIKeyPSXXASVOQOQBFU-FOCLMDBBSA-N
XLogP4.42
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.42
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-[5-[3-(phenylsulfamoyl)phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[5-[3-(phenylsulfamoyl)phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide (CID 155539825) is (E)-N-[5-[3-(phenylsulfamoyl)phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[5-[3-(phenylsulfamoyl)phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[5-[3-(phenylsulfamoyl)phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide is O=C(/C=C/c1cccnc1)NCCCCCc1cccc(S(=O)(=O)Nc2ccccc2)c1.
What is the InChIKey of (E)-N-[5-[3-(phenylsulfamoyl)phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is PSXXASVOQOQBFU-FOCLMDBBSA-N. The full InChI is InChI=1S/C25H27N3O3S/c29-25(16-15-22-11-8-17-26-20-22)27-18-6-2-3-9-21-10-7-14-24(19-21)32(30,31)28-23-12-4-1-5-13-23/h1,4-5,7-8,10-17,19-20,28H,2-3,6,9,18H2,(H,27,29)/b16-15+.
What are the key properties of (E)-N-[5-[3-(phenylsulfamoyl)phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[5-[3-(phenylsulfamoyl)phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 449.58 g/mol, XLogP of 4.42, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-[3-(phenylsulfamoyl)phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 155539825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).