(E)-3-(3,4-diethoxyphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]prop-2-enamide

C22H28N2O6S — CID 30752253

IUPAC(E)-3-(3,4-diethoxyphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)NCCNS(=O)(=O)c2ccc(OC)cc2)cc1OCC
InChIInChI=1S/C22H28N2O6S/c1-4-29-20-12-6-17(16-21(20)30-5-2)7-13-22(25)23-14-15-24-31(26,27)19-10-8-18(28-3)9-11-19/h6-13,16,24H,4-5,14-15H2,1-3H3,(H,23,25)/b13-7+
InChIKeyJSDUCTXDDUUMCF-NTUHNPAUSA-N
MW448.54 g/mol
LogP2.60
Rot. Bonds12

About (E)-3-(3,4-diethoxyphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]prop-2-enamide

(E)-3-(3,4-diethoxyphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]prop-2-enamide (PubChem CID 30752253) has the molecular formula C22H28N2O6S and a molecular weight of 448.54 g/mol. Its IUPAC name is (E)-3-(3,4-diethoxyphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-diethoxyphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]prop-2-enamide
PubChem CID30752253
Molecular FormulaC22H28N2O6S
Molecular Weight448.54 g/mol
Exact Mass448.17
IUPAC Name(E)-3-(3,4-diethoxyphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)NCCNS(=O)(=O)c2ccc(OC)cc2)cc1OCC
InChIInChI=1S/C22H28N2O6S/c1-4-29-20-12-6-17(16-21(20)30-5-2)7-13-22(25)23-14-15-24-31(26,27)19-10-8-18(28-3)9-11-19/h6-13,16,24H,4-5,14-15H2,1-3H3,(H,23,25)/b13-7+
InChIKeyJSDUCTXDDUUMCF-NTUHNPAUSA-N
XLogP2.60
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-3-(3,4-diethoxyphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]prop-2-enamide
CID 30752288
3-(3,4-diethoxyphenyl)-N-propylprop-2-enamide
CID 102603082
3-(3,4-diethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 102603314
(E)-N-(2-aminoethyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 82335664
3-[3-(3,4-diethoxyphenyl)prop-2-enoylamino]propanoic acid
CID 131846364
(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 26851284
(4-methoxyphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate
CID 732910
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]prop-2-enamide
CID 2933087
N-[2-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide
CID 38203835
3-(4-ethoxy-3-methoxyphenyl)-N-(2-phenoxyethyl)prop-2-enamide
CID 102603120
3-(3,4-diethoxyphenyl)-N-[2-(pyrimidin-2-ylamino)ethyl]prop-2-enamide
CID 55932798
4-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]butanoic acid
CID 131846334

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-diethoxyphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(3,4-diethoxyphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]prop-2-enamide (CID 30752253) is (E)-3-(3,4-diethoxyphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-diethoxyphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-diethoxyphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]prop-2-enamide is CCOc1ccc(/C=C/C(=O)NCCNS(=O)(=O)c2ccc(OC)cc2)cc1OCC.
What is the InChIKey of (E)-3-(3,4-diethoxyphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]prop-2-enamide?
The InChIKey is JSDUCTXDDUUMCF-NTUHNPAUSA-N. The full InChI is InChI=1S/C22H28N2O6S/c1-4-29-20-12-6-17(16-21(20)30-5-2)7-13-22(25)23-14-15-24-31(26,27)19-10-8-18(28-3)9-11-19/h6-13,16,24H,4-5,14-15H2,1-3H3,(H,23,25)/b13-7+.
What are the key properties of (E)-3-(3,4-diethoxyphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]prop-2-enamide?
(E)-3-(3,4-diethoxyphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]prop-2-enamide has a molecular weight of 448.54 g/mol, XLogP of 2.60, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-diethoxyphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]prop-2-enamide is sourced from PubChem (CID 30752253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).