(E)-3-(furan-2-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]prop-2-enamide

C19H14N2O6S — CID 8922508

IUPAC(E)-3-(furan-2-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H14N2O6S/c22-19(12-7-16-2-1-13-27-16)20-14-3-8-17(9-4-14)28(25,26)18-10-5-15(6-11-18)21(23)24/h1-13H,(H,20,22)/b12-7+
InChIKeyOVOIUGVYFGQFIY-KPKJPENVSA-N
MW398.40 g/mol
LogP3.67
Rot. Bonds6

About (E)-3-(furan-2-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]prop-2-enamide (PubChem CID 8922508) has the molecular formula C19H14N2O6S and a molecular weight of 398.40 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]prop-2-enamide
PubChem CID8922508
Molecular FormulaC19H14N2O6S
Molecular Weight398.40 g/mol
Exact Mass398.06
IUPAC Name(E)-3-(furan-2-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H14N2O6S/c22-19(12-7-16-2-1-13-27-16)20-14-3-8-17(9-4-14)28(25,26)18-10-5-15(6-11-18)21(23)24/h1-13H,(H,20,22)/b12-7+
InChIKeyOVOIUGVYFGQFIY-KPKJPENVSA-N
XLogP3.67
TPSA119.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[4-(difluoromethylsulfonyl)phenyl]-3-(furan-2-yl)prop-2-enamide
CID 7942006
N-[4-(4-nitrophenyl)sulfonylphenyl]furan-2-carboxamide
CID 26199992
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
(E)-3-(furan-2-yl)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]prop-2-enamide
CID 11523955
(E)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 51566581
(E)-N,3-bis(4-nitrophenyl)prop-2-enamide
CID 6147286
(E)-3-(furan-2-yl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide
CID 17101941
(Z)-N-(4-nitrophenyl)-3-phenylprop-2-enamide
CID 92909984
(4-nitrophenyl) (E)-3-(furan-2-yl)prop-2-enoate
CID 7005052
(Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 2298592
(E)-N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-3-(furan-2-yl)prop-2-enamide
CID 7921854
methyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 963838

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]prop-2-enamide (CID 8922508) is (E)-3-(furan-2-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]prop-2-enamide is O=C(/C=C/c1ccco1)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]prop-2-enamide?
The InChIKey is OVOIUGVYFGQFIY-KPKJPENVSA-N. The full InChI is InChI=1S/C19H14N2O6S/c22-19(12-7-16-2-1-13-27-16)20-14-3-8-17(9-4-14)28(25,26)18-10-5-15(6-11-18)21(23)24/h1-13H,(H,20,22)/b12-7+.
What are the key properties of (E)-3-(furan-2-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]prop-2-enamide has a molecular weight of 398.40 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]prop-2-enamide is sourced from PubChem (CID 8922508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).