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

C24H25N3O3S — CID 155559135

IUPAC(E)-N-[4-[4-(phenylsulfamoyl)phenyl]butyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)NCCCCc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C24H25N3O3S/c28-24(16-13-21-8-6-17-25-19-21)26-18-5-4-7-20-11-14-23(15-12-20)31(29,30)27-22-9-2-1-3-10-22/h1-3,6,8-17,19,27H,4-5,7,18H2,(H,26,28)/b16-13+
InChIKeyUBFWNVOYQOSVKV-DTQAZKPQSA-N
MW435.55 g/mol
LogP4.03
Rot. Bonds10

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

(E)-N-[4-[4-(phenylsulfamoyl)phenyl]butyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 155559135) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is (E)-N-[4-[4-(phenylsulfamoyl)phenyl]butyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[4-(phenylsulfamoyl)phenyl]butyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID155559135
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name(E)-N-[4-[4-(phenylsulfamoyl)phenyl]butyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)NCCCCc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C24H25N3O3S/c28-24(16-13-21-8-6-17-25-19-21)26-18-5-4-7-20-11-14-23(15-12-20)31(29,30)27-22-9-2-1-3-10-22/h1-3,6,8-17,19,27H,4-5,7,18H2,(H,26,28)/b16-13+
InChIKeyUBFWNVOYQOSVKV-DTQAZKPQSA-N
XLogP4.03
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.03
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-[4-[4-(phenylsulfamoyl)phenyl]butyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-[4-(phenylsulfamoyl)phenyl]butyl]-3-pyridin-3-ylprop-2-enamide (CID 155559135) is (E)-N-[4-[4-(phenylsulfamoyl)phenyl]butyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-[4-(phenylsulfamoyl)phenyl]butyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-[4-(phenylsulfamoyl)phenyl]butyl]-3-pyridin-3-ylprop-2-enamide is O=C(/C=C/c1cccnc1)NCCCCc1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of (E)-N-[4-[4-(phenylsulfamoyl)phenyl]butyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is UBFWNVOYQOSVKV-DTQAZKPQSA-N. The full InChI is InChI=1S/C24H25N3O3S/c28-24(16-13-21-8-6-17-25-19-21)26-18-5-4-7-20-11-14-23(15-12-20)31(29,30)27-22-9-2-1-3-10-22/h1-3,6,8-17,19,27H,4-5,7,18H2,(H,26,28)/b16-13+.
What are the key properties of (E)-N-[4-[4-(phenylsulfamoyl)phenyl]butyl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[4-[4-(phenylsulfamoyl)phenyl]butyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 435.55 g/mol, XLogP of 4.03, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[4-(phenylsulfamoyl)phenyl]butyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 155559135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).