(E)-N-[2-(difluoromethylsulfonyl)phenyl]-3-(2,4-dimethoxyphenyl)prop-2-enamide

C18H17F2NO5S — CID 55340337

IUPAC(E)-N-[2-(difluoromethylsulfonyl)phenyl]-3-(2,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccccc2S(=O)(=O)C(F)F)c(OC)c1
InChIInChI=1S/C18H17F2NO5S/c1-25-13-9-7-12(15(11-13)26-2)8-10-17(22)21-14-5-3-4-6-16(14)27(23,24)18(19)20/h3-11,18H,1-2H3,(H,21,22)/b10-8+
InChIKeyBKZLGVFYSHEUEW-CSKARUKUSA-N
MW397.40 g/mol
LogP3.35
Rot. Bonds7

About (E)-N-[2-(difluoromethylsulfonyl)phenyl]-3-(2,4-dimethoxyphenyl)prop-2-enamide

(E)-N-[2-(difluoromethylsulfonyl)phenyl]-3-(2,4-dimethoxyphenyl)prop-2-enamide (PubChem CID 55340337) has the molecular formula C18H17F2NO5S and a molecular weight of 397.40 g/mol. Its IUPAC name is (E)-N-[2-(difluoromethylsulfonyl)phenyl]-3-(2,4-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(difluoromethylsulfonyl)phenyl]-3-(2,4-dimethoxyphenyl)prop-2-enamide
PubChem CID55340337
Molecular FormulaC18H17F2NO5S
Molecular Weight397.40 g/mol
Exact Mass397.08
IUPAC Name(E)-N-[2-(difluoromethylsulfonyl)phenyl]-3-(2,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccccc2S(=O)(=O)C(F)F)c(OC)c1
InChIInChI=1S/C18H17F2NO5S/c1-25-13-9-7-12(15(11-13)26-2)8-10-17(22)21-14-5-3-4-6-16(14)27(23,24)18(19)20/h3-11,18H,1-2H3,(H,21,22)/b10-8+
InChIKeyBKZLGVFYSHEUEW-CSKARUKUSA-N
XLogP3.35
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 53.35
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

3-(2-bromophenyl)-N-[2-(difluoromethylsulfonyl)phenyl]prop-2-enamide
CID 76858905
(E)-N-[2-(difluoromethylsulfonyl)phenyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 55340127
(E)-3-(2,4-dimethoxyphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide
CID 9141397
(E)-N-(2,5-dimethoxyphenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 9098501
(E)-3-(2,5-dimethoxyphenyl)-N-(2-iodophenyl)prop-2-enamide
CID 2666320
(E)-N-(3-acetamido-4-fluorophenyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 55532975
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-(4,5-dimethoxy-2-methylphenyl)prop-2-enamide
CID 30847487
(E)-N-(2-acetylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 8749582
3-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide
CID 1178404
(1E,6E)-1,7-bis(2,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68552465
N-(2,4-dimethoxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 4015229
N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide
CID 732464

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(difluoromethylsulfonyl)phenyl]-3-(2,4-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(difluoromethylsulfonyl)phenyl]-3-(2,4-dimethoxyphenyl)prop-2-enamide (CID 55340337) is (E)-N-[2-(difluoromethylsulfonyl)phenyl]-3-(2,4-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(difluoromethylsulfonyl)phenyl]-3-(2,4-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(difluoromethylsulfonyl)phenyl]-3-(2,4-dimethoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2ccccc2S(=O)(=O)C(F)F)c(OC)c1.
What is the InChIKey of (E)-N-[2-(difluoromethylsulfonyl)phenyl]-3-(2,4-dimethoxyphenyl)prop-2-enamide?
The InChIKey is BKZLGVFYSHEUEW-CSKARUKUSA-N. The full InChI is InChI=1S/C18H17F2NO5S/c1-25-13-9-7-12(15(11-13)26-2)8-10-17(22)21-14-5-3-4-6-16(14)27(23,24)18(19)20/h3-11,18H,1-2H3,(H,21,22)/b10-8+.
What are the key properties of (E)-N-[2-(difluoromethylsulfonyl)phenyl]-3-(2,4-dimethoxyphenyl)prop-2-enamide?
(E)-N-[2-(difluoromethylsulfonyl)phenyl]-3-(2,4-dimethoxyphenyl)prop-2-enamide has a molecular weight of 397.40 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(difluoromethylsulfonyl)phenyl]-3-(2,4-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 55340337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).