4-[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]-N-methylbenzenesulfonamide

C20H23NO5S — CID 9448183

IUPAC4-[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]-N-methylbenzenesulfonamide
SMILESCCCOc1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)NC)cc2)cc1OC
InChIInChI=1S/C20H23NO5S/c1-4-13-26-19-12-6-15(14-20(19)25-3)5-11-18(22)16-7-9-17(10-8-16)27(23,24)21-2/h5-12,14,21H,4,13H2,1-3H3/b11-5+
InChIKeyCQAFVVCXMKBZNM-VZUCSPMQSA-N
MW389.47 g/mol
LogP3.29
Rot. Bonds9

About 4-[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]-N-methylbenzenesulfonamide

4-[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]-N-methylbenzenesulfonamide (PubChem CID 9448183) has the molecular formula C20H23NO5S and a molecular weight of 389.47 g/mol. Its IUPAC name is 4-[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]-N-methylbenzenesulfonamide
PubChem CID9448183
Molecular FormulaC20H23NO5S
Molecular Weight389.47 g/mol
Exact Mass389.13
IUPAC Name4-[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]-N-methylbenzenesulfonamide
SMILESCCCOc1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)NC)cc2)cc1OC
InChIInChI=1S/C20H23NO5S/c1-4-13-26-19-12-6-15(14-20(19)25-3)5-11-18(22)16-7-9-17(10-8-16)27(23,24)21-2/h5-12,14,21H,4,13H2,1-3H3/b11-5+
InChIKeyCQAFVVCXMKBZNM-VZUCSPMQSA-N
XLogP3.29
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]-N,N-dimethylbenzenesulfonamide
CID 9447525
(E)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-en-1-one
CID 55768978
1-(3,4-difluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-en-1-one
CID 75849622
N-ethyl-2-[2-methoxy-4-[(E)-3-oxo-3-(4-propoxyphenyl)prop-1-enyl]phenoxy]acetamide
CID 18286661
4-[(E)-3-(4-methoxy-3-propoxyphenyl)prop-2-enoyl]benzonitrile
CID 6215119
(E)-3-(4-hexoxy-3-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 134814022
4-butoxy-3-methoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219667
3-(3-methoxy-4-propoxyphenyl)-N-(3-methylbutan-2-yl)prop-2-enamide
CID 76859005
(E)-3-[4-(3-bromopropoxy)-3-methoxyphenyl]-1-(4-fluorophenyl)prop-2-en-1-one
CID 68506990
2-[2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]acetate
CID 8856878
(E)-3-(3-butoxy-4-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 7946721
4-[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]benzonitrile
CID 27112216

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]-N-methylbenzenesulfonamide (CID 9448183) is 4-[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]-N-methylbenzenesulfonamide is CCCOc1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)NC)cc2)cc1OC.
What is the InChIKey of 4-[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]-N-methylbenzenesulfonamide?
The InChIKey is CQAFVVCXMKBZNM-VZUCSPMQSA-N. The full InChI is InChI=1S/C20H23NO5S/c1-4-13-26-19-12-6-15(14-20(19)25-3)5-11-18(22)16-7-9-17(10-8-16)27(23,24)21-2/h5-12,14,21H,4,13H2,1-3H3/b11-5+.
What are the key properties of 4-[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]-N-methylbenzenesulfonamide?
4-[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]-N-methylbenzenesulfonamide has a molecular weight of 389.47 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 9448183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).