(E)-3-(furan-2-yl)-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide

C19H19F3N2O5S — CID 6215401

IUPAC(E)-3-(furan-2-yl)-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(F)(F)F
InChIInChI=1S/C19H19F3N2O5S/c20-19(21,22)13-29-17-7-6-15(30(26,27)24-9-1-2-10-24)12-16(17)23-18(25)8-5-14-4-3-11-28-14/h3-8,11-12H,1-2,9-10,13H2,(H,23,25)/b8-5+
InChIKeyOUDCVQODVSNQOR-VMPITWQZSA-N
MW444.43 g/mol
LogP3.66
Rot. Bonds7

About (E)-3-(furan-2-yl)-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide (PubChem CID 6215401) has the molecular formula C19H19F3N2O5S and a molecular weight of 444.43 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide
PubChem CID6215401
Molecular FormulaC19H19F3N2O5S
Molecular Weight444.43 g/mol
Exact Mass444.10
IUPAC Name(E)-3-(furan-2-yl)-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(F)(F)F
InChIInChI=1S/C19H19F3N2O5S/c20-19(21,22)13-29-17-7-6-15(30(26,27)24-9-1-2-10-24)12-16(17)23-18(25)8-5-14-4-3-11-28-14/h3-8,11-12H,1-2,9-10,13H2,(H,23,25)/b8-5+
InChIKeyOUDCVQODVSNQOR-VMPITWQZSA-N
XLogP3.66
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.43
LogP ≤ 53.66
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

N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 4797053
(E)-N-[5-(azepan-1-ylsulfonyl)-2-(2,2,2-trifluoroethoxy)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 26682539
N-[1-oxo-1-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)anilino]propan-2-yl]furan-2-carboxamide
CID 4885012
4-methyl-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 4800649
N-[5-(azepan-1-ylsulfonyl)-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxyethoxy)acetamide
CID 43037505
N-[5-(azepan-1-ylsulfonyl)-2-(2,2,2-trifluoroethoxy)phenyl]-3-methylthiophene-2-carboxamide
CID 3305353
2-ethoxy-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
CID 4880424
N-[5-(azepan-1-ylsulfonyl)-2-(2,2,2-trifluoroethoxy)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 43030392
3-methyl-N-[5-piperidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 25498374
(E)-3-(4-fluorophenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 30393885
(E)-3-(1,3-benzothiazol-2-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 16552167
5-(azepan-1-ylsulfonyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 3688661

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide (CID 6215401) is (E)-3-(furan-2-yl)-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide is O=C(/C=C/c1ccco1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(F)(F)F.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide?
The InChIKey is OUDCVQODVSNQOR-VMPITWQZSA-N. The full InChI is InChI=1S/C19H19F3N2O5S/c20-19(21,22)13-29-17-7-6-15(30(26,27)24-9-1-2-10-24)12-16(17)23-18(25)8-5-14-4-3-11-28-14/h3-8,11-12H,1-2,9-10,13H2,(H,23,25)/b8-5+.
What are the key properties of (E)-3-(furan-2-yl)-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide has a molecular weight of 444.43 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 6215401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).