(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide

C24H24ClN3O4S — CID 55963826

IUPAC(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide
SMILESCC(C)Oc1ncccc1CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C24H24ClN3O4S/c1-17(2)32-24-19(6-5-15-26-24)16-27-23(29)14-11-18-9-12-20(13-10-18)33(30,31)28-22-8-4-3-7-21(22)25/h3-15,17,28H,16H2,1-2H3,(H,27,29)/b14-11+
InChIKeyNAJDZUVYNINZNY-SDNWHVSQSA-N
MW485.99 g/mol
LogP4.65
Rot. Bonds9

About (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide

(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide (PubChem CID 55963826) has the molecular formula C24H24ClN3O4S and a molecular weight of 485.99 g/mol. Its IUPAC name is (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide
PubChem CID55963826
Molecular FormulaC24H24ClN3O4S
Molecular Weight485.99 g/mol
Exact Mass485.12
IUPAC Name(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide
SMILESCC(C)Oc1ncccc1CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C24H24ClN3O4S/c1-17(2)32-24-19(6-5-15-26-24)16-27-23(29)14-11-18-9-12-20(13-10-18)33(30,31)28-22-8-4-3-7-21(22)25/h3-15,17,28H,16H2,1-2H3,(H,27,29)/b14-11+
InChIKeyNAJDZUVYNINZNY-SDNWHVSQSA-N
XLogP4.65
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.99
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide (CID 55963826) is (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide is CC(C)Oc1ncccc1CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide?
The InChIKey is NAJDZUVYNINZNY-SDNWHVSQSA-N. The full InChI is InChI=1S/C24H24ClN3O4S/c1-17(2)32-24-19(6-5-15-26-24)16-27-23(29)14-11-18-9-12-20(13-10-18)33(30,31)28-22-8-4-3-7-21(22)25/h3-15,17,28H,16H2,1-2H3,(H,27,29)/b14-11+.
What are the key properties of (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide?
(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide has a molecular weight of 485.99 g/mol, XLogP of 4.65, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide is sourced from PubChem (CID 55963826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).