(E)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide

C21H23ClF2N2O5S — CID 55340863

IUPAC(E)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)/C=C/c2ccc(OC(F)F)c(OC)c2)ccc1Cl
InChIInChI=1S/C21H23ClF2N2O5S/c1-4-26(5-2)32(28,29)19-13-15(8-9-16(19)22)25-20(27)11-7-14-6-10-17(31-21(23)24)18(12-14)30-3/h6-13,21H,4-5H2,1-3H3,(H,25,27)/b11-7+
InChIKeyIMBZIXSLZOAYPC-YRNVUSSQSA-N
MW488.94 g/mol
LogP4.63
Rot. Bonds10

About (E)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide

(E)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide (PubChem CID 55340863) has the molecular formula C21H23ClF2N2O5S and a molecular weight of 488.94 g/mol. Its IUPAC name is (E)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
PubChem CID55340863
Molecular FormulaC21H23ClF2N2O5S
Molecular Weight488.94 g/mol
Exact Mass488.10
IUPAC Name(E)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)/C=C/c2ccc(OC(F)F)c(OC)c2)ccc1Cl
InChIInChI=1S/C21H23ClF2N2O5S/c1-4-26(5-2)32(28,29)19-13-15(8-9-16(19)22)25-20(27)11-7-14-6-10-17(31-21(23)24)18(12-14)30-3/h6-13,21H,4-5H2,1-3H3,(H,25,27)/b11-7+
InChIKeyIMBZIXSLZOAYPC-YRNVUSSQSA-N
XLogP4.63
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.94
LogP ≤ 54.63
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

(E)-N-(3-chloro-4-methylphenyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 2371149
(E)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 18200405
(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 2330150
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(4-fluorophenyl)prop-2-enamide
CID 2666277
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3,5-dimethylphenyl)prop-2-enamide
CID 7961050
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 76858101
N-(3-chloro-4-methoxyphenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 4583429
(E)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-methylprop-2-enamide
CID 30254107
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)prop-2-enamide
CID 26665899
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-nitrophenyl)prop-2-enamide
CID 26561960
4-[[(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 2392872
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(2-methylbutan-2-yl)prop-2-enamide
CID 2120392

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide?
The IUPAC name of (E)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide (CID 55340863) is (E)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)/C=C/c2ccc(OC(F)F)c(OC)c2)ccc1Cl.
What is the InChIKey of (E)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide?
The InChIKey is IMBZIXSLZOAYPC-YRNVUSSQSA-N. The full InChI is InChI=1S/C21H23ClF2N2O5S/c1-4-26(5-2)32(28,29)19-13-15(8-9-16(19)22)25-20(27)11-7-14-6-10-17(31-21(23)24)18(12-14)30-3/h6-13,21H,4-5H2,1-3H3,(H,25,27)/b11-7+.
What are the key properties of (E)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide?
(E)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide has a molecular weight of 488.94 g/mol, XLogP of 4.63, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide is sourced from PubChem (CID 55340863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).