3-[3-[[(Z)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enoyl]amino]phenoxy]propanamide

C20H23N3O6S — CID 97435163

IUPAC3-[3-[[(Z)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enoyl]amino]phenoxy]propanamide
SMILESCNS(=O)(=O)c1cc(/C=C\C(=O)Nc2cccc(OCCC(N)=O)c2)ccc1OC
InChIInChI=1S/C20H23N3O6S/c1-22-30(26,27)18-12-14(6-8-17(18)28-2)7-9-20(25)23-15-4-3-5-16(13-15)29-11-10-19(21)24/h3-9,12-13,22H,10-11H2,1-2H3,(H2,21,24)(H,23,25)/b9-7-
InChIKeyCAAIKKXUBJRFED-CLFYSBASSA-N
MW433.49 g/mol
LogP1.51
Rot. Bonds10

About 3-[3-[[(Z)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enoyl]amino]phenoxy]propanamide

3-[3-[[(Z)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enoyl]amino]phenoxy]propanamide (PubChem CID 97435163) has the molecular formula C20H23N3O6S and a molecular weight of 433.49 g/mol. Its IUPAC name is 3-[3-[[(Z)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enoyl]amino]phenoxy]propanamide.

Molecular Properties

Compound Name3-[3-[[(Z)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enoyl]amino]phenoxy]propanamide
PubChem CID97435163
Molecular FormulaC20H23N3O6S
Molecular Weight433.49 g/mol
Exact Mass433.13
IUPAC Name3-[3-[[(Z)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enoyl]amino]phenoxy]propanamide
SMILESCNS(=O)(=O)c1cc(/C=C\C(=O)Nc2cccc(OCCC(N)=O)c2)ccc1OC
InChIInChI=1S/C20H23N3O6S/c1-22-30(26,27)18-12-14(6-8-17(18)28-2)7-9-20(25)23-15-4-3-5-16(13-15)29-11-10-19(21)24/h3-9,12-13,22H,10-11H2,1-2H3,(H2,21,24)(H,23,25)/b9-7-
InChIKeyCAAIKKXUBJRFED-CLFYSBASSA-N
XLogP1.51
TPSA136.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethylphenoxy)ethyl (E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enoate
CID 55322654
(E)-N-(3-ethoxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 60533788
(E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(2-propan-2-yloxyphenyl)prop-2-enamide
CID 39498249
(E)-3-(3,4-dimethoxyphenyl)-N-[(3-propoxyphenyl)carbamothioyl]prop-2-enamide
CID 54788566
(E)-3-(3-methoxyphenyl)-N-(4-methoxy-3-sulfamoylphenyl)prop-2-enamide
CID 24634483
(E)-N-(3-methoxyphenyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 26914384
(E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]prop-2-enamide
CID 55465438
3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 55526444
(E)-3-(3-hydroxy-4-methoxyphenyl)-N-(3-phenylmethoxyphenyl)prop-2-enamide
CID 45376472
N-(3-methoxyphenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 2791655
(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]prop-2-enamide
CID 9106866
3-[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]benzamide
CID 51152920

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[(Z)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enoyl]amino]phenoxy]propanamide?
The IUPAC name of 3-[3-[[(Z)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enoyl]amino]phenoxy]propanamide (CID 97435163) is 3-[3-[[(Z)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enoyl]amino]phenoxy]propanamide.
What is the SMILES notation for 3-[3-[[(Z)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enoyl]amino]phenoxy]propanamide?
The canonical SMILES for 3-[3-[[(Z)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enoyl]amino]phenoxy]propanamide is CNS(=O)(=O)c1cc(/C=C\C(=O)Nc2cccc(OCCC(N)=O)c2)ccc1OC.
What is the InChIKey of 3-[3-[[(Z)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enoyl]amino]phenoxy]propanamide?
The InChIKey is CAAIKKXUBJRFED-CLFYSBASSA-N. The full InChI is InChI=1S/C20H23N3O6S/c1-22-30(26,27)18-12-14(6-8-17(18)28-2)7-9-20(25)23-15-4-3-5-16(13-15)29-11-10-19(21)24/h3-9,12-13,22H,10-11H2,1-2H3,(H2,21,24)(H,23,25)/b9-7-.
What are the key properties of 3-[3-[[(Z)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enoyl]amino]phenoxy]propanamide?
3-[3-[[(Z)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enoyl]amino]phenoxy]propanamide has a molecular weight of 433.49 g/mol, XLogP of 1.51, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[(Z)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enoyl]amino]phenoxy]propanamide is sourced from PubChem (CID 97435163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).