N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-(furan-2-yl)prop-2-enamide

C20H24N2O5S — CID 4797053

IUPACN-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-(furan-2-yl)prop-2-enamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C=Cc1ccco1
InChIInChI=1S/C20H24N2O5S/c1-2-26-19-10-9-17(28(24,25)22-12-4-3-5-13-22)15-18(19)21-20(23)11-8-16-7-6-14-27-16/h6-11,14-15H,2-5,12-13H2,1H3,(H,21,23)
InChIKeyHBJHPXWPLBMGTN-UHFFFAOYSA-N
MW404.49 g/mol
LogP3.50
Rot. Bonds7

About N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-(furan-2-yl)prop-2-enamide

N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 4797053) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-(furan-2-yl)prop-2-enamide
PubChem CID4797053
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC NameN-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-(furan-2-yl)prop-2-enamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C=Cc1ccco1
InChIInChI=1S/C20H24N2O5S/c1-2-26-19-10-9-17(28(24,25)22-12-4-3-5-13-22)15-18(19)21-20(23)11-8-16-7-6-14-27-16/h6-11,14-15H,2-5,12-13H2,1H3,(H,21,23)
InChIKeyHBJHPXWPLBMGTN-UHFFFAOYSA-N
XLogP3.50
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.50
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)-3-(furan-2-yl)-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide
CID 6215401
N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide
CID 6458874
(E)-3-(1,3-benzothiazol-2-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 16552167
trans-(1R,2R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylcyclopropane-1-carboxamide
CID 8892125
(E)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 6215014
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbenzamide
CID 7761111
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbutanamide
CID 26265845
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3,5-dimethylbenzamide
CID 7761104
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
CID 30821872
methyl 4-[(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate
CID 26265691
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-5-oxo-5-thiophen-2-ylpentanamide
CID 30748289
2-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9006752

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-(furan-2-yl)prop-2-enamide (CID 4797053) is N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-(furan-2-yl)prop-2-enamide is CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C=Cc1ccco1.
What is the InChIKey of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is HBJHPXWPLBMGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-2-26-19-10-9-17(28(24,25)22-12-4-3-5-13-22)15-18(19)21-20(23)11-8-16-7-6-14-27-16/h6-11,14-15H,2-5,12-13H2,1H3,(H,21,23).
What are the key properties of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-(furan-2-yl)prop-2-enamide?
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 404.49 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 4797053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).