N,N-diethyl-2-methoxy-5-[(E)-3-oxo-3-phenylprop-1-enyl]benzenesulfonamide

C20H23NO4S — CID 15727886

IUPACN,N-diethyl-2-methoxy-5-[(E)-3-oxo-3-phenylprop-1-enyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(/C=C/C(=O)c2ccccc2)ccc1OC
InChIInChI=1S/C20H23NO4S/c1-4-21(5-2)26(23,24)20-15-16(12-14-19(20)25-3)11-13-18(22)17-9-7-6-8-10-17/h6-15H,4-5H2,1-3H3/b13-11+
InChIKeyHIWQFOYWKNOPAL-ACCUITESSA-N
MW373.47 g/mol
LogP3.62
Rot. Bonds8

About N,N-diethyl-2-methoxy-5-[(E)-3-oxo-3-phenylprop-1-enyl]benzenesulfonamide

N,N-diethyl-2-methoxy-5-[(E)-3-oxo-3-phenylprop-1-enyl]benzenesulfonamide (PubChem CID 15727886) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is N,N-diethyl-2-methoxy-5-[(E)-3-oxo-3-phenylprop-1-enyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-2-methoxy-5-[(E)-3-oxo-3-phenylprop-1-enyl]benzenesulfonamide
PubChem CID15727886
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC NameN,N-diethyl-2-methoxy-5-[(E)-3-oxo-3-phenylprop-1-enyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(/C=C/C(=O)c2ccccc2)ccc1OC
InChIInChI=1S/C20H23NO4S/c1-4-21(5-2)26(23,24)20-15-16(12-14-19(20)25-3)11-13-18(22)17-9-7-6-8-10-17/h6-15H,4-5H2,1-3H3/b13-11+
InChIKeyHIWQFOYWKNOPAL-ACCUITESSA-N
XLogP3.62
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 N,N-diethyl-2-methoxy-5-[(E)-3-oxo-3-phenylprop-1-enyl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-2-methoxy-5-[(E)-3-oxo-3-phenylprop-1-enyl]benzenesulfonamide (CID 15727886) is N,N-diethyl-2-methoxy-5-[(E)-3-oxo-3-phenylprop-1-enyl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-2-methoxy-5-[(E)-3-oxo-3-phenylprop-1-enyl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-2-methoxy-5-[(E)-3-oxo-3-phenylprop-1-enyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(/C=C/C(=O)c2ccccc2)ccc1OC.
What is the InChIKey of N,N-diethyl-2-methoxy-5-[(E)-3-oxo-3-phenylprop-1-enyl]benzenesulfonamide?
The InChIKey is HIWQFOYWKNOPAL-ACCUITESSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-4-21(5-2)26(23,24)20-15-16(12-14-19(20)25-3)11-13-18(22)17-9-7-6-8-10-17/h6-15H,4-5H2,1-3H3/b13-11+.
What are the key properties of N,N-diethyl-2-methoxy-5-[(E)-3-oxo-3-phenylprop-1-enyl]benzenesulfonamide?
N,N-diethyl-2-methoxy-5-[(E)-3-oxo-3-phenylprop-1-enyl]benzenesulfonamide has a molecular weight of 373.47 g/mol, XLogP of 3.62, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methoxy-5-[(E)-3-oxo-3-phenylprop-1-enyl]benzenesulfonamide is sourced from PubChem (CID 15727886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).