(E)-N-(2-ethylbutylsulfonyl)-3-(furan-2-yl)prop-2-enamide

C13H19NO4S — CID 75407332

IUPAC(E)-N-(2-ethylbutylsulfonyl)-3-(furan-2-yl)prop-2-enamide
SMILESCCC(CC)CS(=O)(=O)NC(=O)/C=C/c1ccco1
InChIInChI=1S/C13H19NO4S/c1-3-11(4-2)10-19(16,17)14-13(15)8-7-12-6-5-9-18-12/h5-9,11H,3-4,10H2,1-2H3,(H,14,15)/b8-7+
InChIKeyOFXXMCKLLGZGNT-BQYQJAHWSA-N
MW285.36 g/mol
LogP2.17
Rot. Bonds7

About (E)-N-(2-ethylbutylsulfonyl)-3-(furan-2-yl)prop-2-enamide

(E)-N-(2-ethylbutylsulfonyl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 75407332) has the molecular formula C13H19NO4S and a molecular weight of 285.36 g/mol. Its IUPAC name is (E)-N-(2-ethylbutylsulfonyl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-ethylbutylsulfonyl)-3-(furan-2-yl)prop-2-enamide
PubChem CID75407332
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC Name(E)-N-(2-ethylbutylsulfonyl)-3-(furan-2-yl)prop-2-enamide
SMILESCCC(CC)CS(=O)(=O)NC(=O)/C=C/c1ccco1
InChIInChI=1S/C13H19NO4S/c1-3-11(4-2)10-19(16,17)14-13(15)8-7-12-6-5-9-18-12/h5-9,11H,3-4,10H2,1-2H3,(H,14,15)/b8-7+
InChIKeyOFXXMCKLLGZGNT-BQYQJAHWSA-N
XLogP2.17
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2-ethylhexyl)-3-(furan-2-yl)prop-2-enamide
CID 6382996
(E)-3-(furan-2-yl)-N-(1-hydroxybutan-2-yl)prop-2-enamide
CID 43416620
(E)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 51566581
3-(furan-2-yl)-N-hexylprop-2-enamide
CID 3705621
(Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 2298592
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
N-(2-ethyl-2-hydroxybutyl)-3-(furan-2-yl)prop-2-enamide
CID 77056421
(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pentanoic acid
CID 107564277
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
(E)-N-[3-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)prop-2-enamide
CID 6213913
N-(diethylcarbamothioyl)-3-(furan-2-yl)prop-2-enamide
CID 2830723
(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-propylpropanamide
CID 7581820

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-ethylbutylsulfonyl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2-ethylbutylsulfonyl)-3-(furan-2-yl)prop-2-enamide (CID 75407332) is (E)-N-(2-ethylbutylsulfonyl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-ethylbutylsulfonyl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-ethylbutylsulfonyl)-3-(furan-2-yl)prop-2-enamide is CCC(CC)CS(=O)(=O)NC(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-N-(2-ethylbutylsulfonyl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is OFXXMCKLLGZGNT-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-3-11(4-2)10-19(16,17)14-13(15)8-7-12-6-5-9-18-12/h5-9,11H,3-4,10H2,1-2H3,(H,14,15)/b8-7+.
What are the key properties of (E)-N-(2-ethylbutylsulfonyl)-3-(furan-2-yl)prop-2-enamide?
(E)-N-(2-ethylbutylsulfonyl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 285.36 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-ethylbutylsulfonyl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 75407332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).