3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide

C20H25N3O5S — CID 55964280

IUPAC3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide
SMILESCNS(=O)(=O)c1cc(C=CC(=O)NCc2ccc(OC(C)C)nc2)ccc1OC
InChIInChI=1S/C20H25N3O5S/c1-14(2)28-20-10-7-16(13-23-20)12-22-19(24)9-6-15-5-8-17(27-4)18(11-15)29(25,26)21-3/h5-11,13-14,21H,12H2,1-4H3,(H,22,24)
InChIKeyAYYKVHGYRQDADK-UHFFFAOYSA-N
MW419.50 g/mol
LogP2.12
Rot. Bonds9

About 3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide

3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide (PubChem CID 55964280) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is 3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide
PubChem CID55964280
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide
SMILESCNS(=O)(=O)c1cc(C=CC(=O)NCc2ccc(OC(C)C)nc2)ccc1OC
InChIInChI=1S/C20H25N3O5S/c1-14(2)28-20-10-7-16(13-23-20)12-22-19(24)9-6-15-5-8-17(27-4)18(11-15)29(25,26)21-3/h5-11,13-14,21H,12H2,1-4H3,(H,22,24)
InChIKeyAYYKVHGYRQDADK-UHFFFAOYSA-N
XLogP2.12
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide with MolForge

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Related Compounds

(E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(2-propan-2-yloxyphenyl)prop-2-enamide
CID 39498249
(E)-3-(3,4-dimethoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]prop-2-enamide
CID 43911045
(E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]prop-2-enamide
CID 34582888
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]prop-2-enamide
CID 55744249
(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 31305879
(E)-N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 51305933
(E)-N-(3-ethoxypropyl)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enamide
CID 46798919
4-[(E)-3-[(6-methoxy-3-pyridinyl)methylamino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 51076627
3,4,5-trimethoxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 47042876
(E)-3-(3-aminophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]prop-2-enamide
CID 115343636
N-[(6-chloro-3-pyridinyl)methyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 76866169
(E)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 55621168

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide?
The IUPAC name of 3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide (CID 55964280) is 3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide.
What is the SMILES notation for 3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide?
The canonical SMILES for 3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide is CNS(=O)(=O)c1cc(C=CC(=O)NCc2ccc(OC(C)C)nc2)ccc1OC.
What is the InChIKey of 3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide?
The InChIKey is AYYKVHGYRQDADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-14(2)28-20-10-7-16(13-23-20)12-22-19(24)9-6-15-5-8-17(27-4)18(11-15)29(25,26)21-3/h5-11,13-14,21H,12H2,1-4H3,(H,22,24).
What are the key properties of 3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide?
3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide has a molecular weight of 419.50 g/mol, XLogP of 2.12, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide is sourced from PubChem (CID 55964280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).