(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]prop-2-enamide

C21H24F2N2O6S — CID 30752288

IUPAC(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]prop-2-enamide
SMILESCCOc1cc(/C=C/C(=O)NCCNS(=O)(=O)c2ccc(OC)cc2)ccc1OC(F)F
InChIInChI=1S/C21H24F2N2O6S/c1-3-30-19-14-15(4-10-18(19)31-21(22)23)5-11-20(26)24-12-13-25-32(27,28)17-8-6-16(29-2)7-9-17/h4-11,14,21,25H,3,12-13H2,1-2H3,(H,24,26)/b11-5+
InChIKeyXAKZXJRXYBDVER-VZUCSPMQSA-N
MW470.49 g/mol
LogP2.80
Rot. Bonds12

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

(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]prop-2-enamide (PubChem CID 30752288) has the molecular formula C21H24F2N2O6S and a molecular weight of 470.49 g/mol. Its IUPAC name is (E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]prop-2-enamide
PubChem CID30752288
Molecular FormulaC21H24F2N2O6S
Molecular Weight470.49 g/mol
Exact Mass470.13
IUPAC Name(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]prop-2-enamide
SMILESCCOc1cc(/C=C/C(=O)NCCNS(=O)(=O)c2ccc(OC)cc2)ccc1OC(F)F
InChIInChI=1S/C21H24F2N2O6S/c1-3-30-19-14-15(4-10-18(19)31-21(22)23)5-11-20(26)24-12-13-25-32(27,28)17-8-6-16(29-2)7-9-17/h4-11,14,21,25H,3,12-13H2,1-2H3,(H,24,26)/b11-5+
InChIKeyXAKZXJRXYBDVER-VZUCSPMQSA-N
XLogP2.80
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.49
LogP ≤ 52.80
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-[4-(difluoromethoxy)-3-ethoxyphenyl]-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-(3,4-diethoxyphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]prop-2-enamide
CID 30752253
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-(3-methoxyphenoxy)ethyl]prop-2-enamide
CID 55587982
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 38573380
N-[2-[[(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoyl]amino]ethyl]cyclopropanecarboxamide
CID 51153100
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(2-phenoxyethyl)prop-2-enamide
CID 33249438
methyl (E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoate
CID 71628157
N-[3-(azepan-1-yl)propyl]-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide
CID 76858469
(E)-N-(2,5-diethoxyphenyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 26179996
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]prop-2-enamide
CID 18204069
(Z)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[3-(4-methylpyrazol-1-yl)propyl]prop-2-enamide
CID 134013484
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[(2,3-dimethoxyphenyl)methyl]prop-2-enamide
CID 55594874
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methylbutyl)prop-2-enamide
CID 2677238

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]prop-2-enamide (CID 30752288) is (E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]prop-2-enamide is CCOc1cc(/C=C/C(=O)NCCNS(=O)(=O)c2ccc(OC)cc2)ccc1OC(F)F.
What is the InChIKey of (E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]prop-2-enamide?
The InChIKey is XAKZXJRXYBDVER-VZUCSPMQSA-N. The full InChI is InChI=1S/C21H24F2N2O6S/c1-3-30-19-14-15(4-10-18(19)31-21(22)23)5-11-20(26)24-12-13-25-32(27,28)17-8-6-16(29-2)7-9-17/h4-11,14,21,25H,3,12-13H2,1-2H3,(H,24,26)/b11-5+.
What are the key properties of (E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]prop-2-enamide?
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]prop-2-enamide has a molecular weight of 470.49 g/mol, XLogP of 2.80, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]prop-2-enamide is sourced from PubChem (CID 30752288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).