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

C23H23N3O3S — CID 155524021

IUPAC(E)-N-[3-[3-(phenylsulfamoyl)phenyl]propyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)NCCCc1cccc(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C23H23N3O3S/c27-23(14-13-20-9-5-15-24-18-20)25-16-6-8-19-7-4-12-22(17-19)30(28,29)26-21-10-2-1-3-11-21/h1-5,7,9-15,17-18,26H,6,8,16H2,(H,25,27)/b14-13+
InChIKeyUNRVPKQFXMBCQJ-BUHFOSPRSA-N
MW421.52 g/mol
LogP3.64
Rot. Bonds9

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

(E)-N-[3-[3-(phenylsulfamoyl)phenyl]propyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 155524021) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is (E)-N-[3-[3-(phenylsulfamoyl)phenyl]propyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-[3-(phenylsulfamoyl)phenyl]propyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID155524021
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC Name(E)-N-[3-[3-(phenylsulfamoyl)phenyl]propyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)NCCCc1cccc(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C23H23N3O3S/c27-23(14-13-20-9-5-15-24-18-20)25-16-6-8-19-7-4-12-22(17-19)30(28,29)26-21-10-2-1-3-11-21/h1-5,7,9-15,17-18,26H,6,8,16H2,(H,25,27)/b14-13+
InChIKeyUNRVPKQFXMBCQJ-BUHFOSPRSA-N
XLogP3.64
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.64
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

(E)-N-[6-[3-[(4-fluorophenyl)sulfamoyl]phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155565565
(E)-N-[6-[3-[(3-methylphenyl)sulfamoyl]phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155527509
(E)-N-[5-[4-(phenylsulfamoyl)phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide
CID 155540057
7-(3-pyridin-3-ylprop-2-enoylamino)heptanoic acid
CID 74872321
(E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide
CID 43416816
(E)-N-[2-(3-prop-2-enoxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 20701388
3-pyridin-3-yl-N-(3-sulfonylpropyl)prop-2-enamide
CID 173201309
(E)-N-[6-[methyl(phenylmethoxy)sulfamoyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 46235692
3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 4810838
3-[[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]methyl]benzoic acid
CID 60893874
3-[[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]methyl]benzamide
CID 33097751
(E)-N-[2-[3-[2-oxo-2-(propylamino)ethoxy]phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide
CID 20701411

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-[3-(phenylsulfamoyl)phenyl]propyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[3-[3-(phenylsulfamoyl)phenyl]propyl]-3-pyridin-3-ylprop-2-enamide (CID 155524021) is (E)-N-[3-[3-(phenylsulfamoyl)phenyl]propyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[3-[3-(phenylsulfamoyl)phenyl]propyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[3-[3-(phenylsulfamoyl)phenyl]propyl]-3-pyridin-3-ylprop-2-enamide is O=C(/C=C/c1cccnc1)NCCCc1cccc(S(=O)(=O)Nc2ccccc2)c1.
What is the InChIKey of (E)-N-[3-[3-(phenylsulfamoyl)phenyl]propyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is UNRVPKQFXMBCQJ-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H23N3O3S/c27-23(14-13-20-9-5-15-24-18-20)25-16-6-8-19-7-4-12-22(17-19)30(28,29)26-21-10-2-1-3-11-21/h1-5,7,9-15,17-18,26H,6,8,16H2,(H,25,27)/b14-13+.
What are the key properties of (E)-N-[3-[3-(phenylsulfamoyl)phenyl]propyl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[3-[3-(phenylsulfamoyl)phenyl]propyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 421.52 g/mol, XLogP of 3.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-[3-(phenylsulfamoyl)phenyl]propyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 155524021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).