(E)-N-[7-[cyclohexylmethoxy(2-fluoroethyl)sulfamoyl]heptyl]-3-pyridin-3-ylprop-2-enamide

C24H38FN3O4S — CID 46235849

IUPAC(E)-N-[7-[cyclohexylmethoxy(2-fluoroethyl)sulfamoyl]heptyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)NCCCCCCCS(=O)(=O)N(CCF)OCC1CCCCC1
InChIInChI=1S/C24H38FN3O4S/c25-15-18-28(32-21-23-10-5-4-6-11-23)33(30,31)19-8-3-1-2-7-17-27-24(29)14-13-22-12-9-16-26-20-22/h9,12-14,16,20,23H,1-8,10-11,15,17-19,21H2,(H,27,29)/b14-13+
InChIKeyAPZSESQWXANABF-BUHFOSPRSA-N
MW483.65 g/mol
LogP4.27
Rot. Bonds16

About (E)-N-[7-[cyclohexylmethoxy(2-fluoroethyl)sulfamoyl]heptyl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[7-[cyclohexylmethoxy(2-fluoroethyl)sulfamoyl]heptyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 46235849) has the molecular formula C24H38FN3O4S and a molecular weight of 483.65 g/mol. Its IUPAC name is (E)-N-[7-[cyclohexylmethoxy(2-fluoroethyl)sulfamoyl]heptyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[7-[cyclohexylmethoxy(2-fluoroethyl)sulfamoyl]heptyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID46235849
Molecular FormulaC24H38FN3O4S
Molecular Weight483.65 g/mol
Exact Mass483.26
IUPAC Name(E)-N-[7-[cyclohexylmethoxy(2-fluoroethyl)sulfamoyl]heptyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)NCCCCCCCS(=O)(=O)N(CCF)OCC1CCCCC1
InChIInChI=1S/C24H38FN3O4S/c25-15-18-28(32-21-23-10-5-4-6-11-23)33(30,31)19-8-3-1-2-7-17-27-24(29)14-13-22-12-9-16-26-20-22/h9,12-14,16,20,23H,1-8,10-11,15,17-19,21H2,(H,27,29)/b14-13+
InChIKeyAPZSESQWXANABF-BUHFOSPRSA-N
XLogP4.27
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.65
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[7-[cyclohexylmethoxy(2-fluoroethyl)sulfamoyl]heptyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[7-[cyclohexylmethoxy(2-fluoroethyl)sulfamoyl]heptyl]-3-pyridin-3-ylprop-2-enamide (CID 46235849) is (E)-N-[7-[cyclohexylmethoxy(2-fluoroethyl)sulfamoyl]heptyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[7-[cyclohexylmethoxy(2-fluoroethyl)sulfamoyl]heptyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[7-[cyclohexylmethoxy(2-fluoroethyl)sulfamoyl]heptyl]-3-pyridin-3-ylprop-2-enamide is O=C(/C=C/c1cccnc1)NCCCCCCCS(=O)(=O)N(CCF)OCC1CCCCC1.
What is the InChIKey of (E)-N-[7-[cyclohexylmethoxy(2-fluoroethyl)sulfamoyl]heptyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is APZSESQWXANABF-BUHFOSPRSA-N. The full InChI is InChI=1S/C24H38FN3O4S/c25-15-18-28(32-21-23-10-5-4-6-11-23)33(30,31)19-8-3-1-2-7-17-27-24(29)14-13-22-12-9-16-26-20-22/h9,12-14,16,20,23H,1-8,10-11,15,17-19,21H2,(H,27,29)/b14-13+.
What are the key properties of (E)-N-[7-[cyclohexylmethoxy(2-fluoroethyl)sulfamoyl]heptyl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[7-[cyclohexylmethoxy(2-fluoroethyl)sulfamoyl]heptyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 483.65 g/mol, XLogP of 4.27, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[7-[cyclohexylmethoxy(2-fluoroethyl)sulfamoyl]heptyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 46235849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).