(E)-N-[3-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)prop-2-enamide

C17H20N2O4S — CID 6213913

IUPAC(E)-N-[3-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)/C=C/c2ccco2)c1
InChIInChI=1S/C17H20N2O4S/c1-3-19(4-2)24(21,22)16-9-5-7-14(13-16)18-17(20)11-10-15-8-6-12-23-15/h5-13H,3-4H2,1-2H3,(H,18,20)/b11-10+
InChIKeyVYWMTDLYZJWBBX-ZHACJKMWSA-N
MW348.42 g/mol
LogP2.96
Rot. Bonds7

About (E)-N-[3-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)prop-2-enamide

(E)-N-[3-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 6213913) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is (E)-N-[3-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID6213913
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name(E)-N-[3-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)/C=C/c2ccco2)c1
InChIInChI=1S/C17H20N2O4S/c1-3-19(4-2)24(21,22)16-9-5-7-14(13-16)18-17(20)11-10-15-8-6-12-23-15/h5-13H,3-4H2,1-2H3,(H,18,20)/b11-10+
InChIKeyVYWMTDLYZJWBBX-ZHACJKMWSA-N
XLogP2.96
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.96
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-[3-(diethylsulfamoyl)phenyl]-3-(4-methylsulfanylphenyl)prop-2-enamide
CID 7759967
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid
CID 748204
(E)-N-(3-bromophenyl)-3-(furan-2-yl)prop-2-enamide
CID 963809
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
methyl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 2303057
3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 1489531
(Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 2298592
(E)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 51566581
N-(3-cyanophenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 71904739
(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 42992514
tert-butyl N-[[3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]methyl]-N-methylcarbamate
CID 94161008
(E)-N-(3,4-dipropoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 6214482

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[3-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)prop-2-enamide (CID 6213913) is (E)-N-[3-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)prop-2-enamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)/C=C/c2ccco2)c1.
What is the InChIKey of (E)-N-[3-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is VYWMTDLYZJWBBX-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-3-19(4-2)24(21,22)16-9-5-7-14(13-16)18-17(20)11-10-15-8-6-12-23-15/h5-13H,3-4H2,1-2H3,(H,18,20)/b11-10+.
What are the key properties of (E)-N-[3-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[3-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 348.42 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 6213913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).