(E)-N-[5-[4-(phenylsulfamoyl)phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide

C25H27N3O3S — CID 155540057

IUPAC(E)-N-[5-[4-(phenylsulfamoyl)phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)NCCCCCc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C25H27N3O3S/c29-25(17-14-22-9-7-18-26-20-22)27-19-6-2-3-8-21-12-15-24(16-13-21)32(30,31)28-23-10-4-1-5-11-23/h1,4-5,7,9-18,20,28H,2-3,6,8,19H2,(H,27,29)/b17-14+
InChIKeyGBQBBHVOGHMHMM-SAPNQHFASA-N
MW449.58 g/mol
LogP4.42
Rot. Bonds11

About (E)-N-[5-[4-(phenylsulfamoyl)phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[5-[4-(phenylsulfamoyl)phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 155540057) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is (E)-N-[5-[4-(phenylsulfamoyl)phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-[4-(phenylsulfamoyl)phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID155540057
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC Name(E)-N-[5-[4-(phenylsulfamoyl)phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)NCCCCCc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C25H27N3O3S/c29-25(17-14-22-9-7-18-26-20-22)27-19-6-2-3-8-21-12-15-24(16-13-21)32(30,31)28-23-10-4-1-5-11-23/h1,4-5,7,9-18,20,28H,2-3,6,8,19H2,(H,27,29)/b17-14+
InChIKeyGBQBBHVOGHMHMM-SAPNQHFASA-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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Related Compounds

(E)-N-[3-[3-(phenylsulfamoyl)phenyl]propyl]-3-pyridin-3-ylprop-2-enamide
CID 155524021
(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
7-(3-pyridin-3-ylprop-2-enoylamino)heptanoic acid
CID 74872321
3-pyridin-3-yl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 171152896
(E)-N-[6-[methyl(phenylmethoxy)sulfamoyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 46235692
(E)-N-[5-[4-[[1H-indol-3-ylmethyl(propan-2-yl)amino]methyl]phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide
CID 145100137
(E)-N-[5-[4-[2-[2-(1H-indol-3-yl)ethyl-propan-2-ylamino]ethyl]phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide
CID 145100142
(E)-N-[5-[4-[[2-(2-methoxyphenyl)ethyl-propan-2-ylamino]methyl]phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide
CID 145100156
(E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide
CID 43416816
3-pyridin-3-yl-N-(3-sulfonylpropyl)prop-2-enamide
CID 173201309
N-[4-[1-(2-phenylethyl)piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide
CID 54406074

Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-[4-(phenylsulfamoyl)phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[5-[4-(phenylsulfamoyl)phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide (CID 155540057) is (E)-N-[5-[4-(phenylsulfamoyl)phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[5-[4-(phenylsulfamoyl)phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[5-[4-(phenylsulfamoyl)phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide is O=C(/C=C/c1cccnc1)NCCCCCc1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of (E)-N-[5-[4-(phenylsulfamoyl)phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is GBQBBHVOGHMHMM-SAPNQHFASA-N. The full InChI is InChI=1S/C25H27N3O3S/c29-25(17-14-22-9-7-18-26-20-22)27-19-6-2-3-8-21-12-15-24(16-13-21)32(30,31)28-23-10-4-1-5-11-23/h1,4-5,7,9-18,20,28H,2-3,6,8,19H2,(H,27,29)/b17-14+.
What are the key properties of (E)-N-[5-[4-(phenylsulfamoyl)phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[5-[4-(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-[4-(phenylsulfamoyl)phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 155540057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).