(E)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-(furan-2-yl)prop-2-enamide

C17H20N2O4S — CID 51566581

IUPAC(E)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-(furan-2-yl)prop-2-enamide
SMILESCC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccco2)cc1
InChIInChI=1S/C17H20N2O4S/c1-3-13(2)19-24(21,22)16-9-6-14(7-10-16)18-17(20)11-8-15-5-4-12-23-15/h4-13,19H,3H2,1-2H3,(H,18,20)/b11-8+/t13-/m0/s1
InChIKeyWKIHWLPDBZACCK-YKWSONSWSA-N
MW348.42 g/mol
LogP3.01
Rot. Bonds7

About (E)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-(furan-2-yl)prop-2-enamide

(E)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 51566581) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is (E)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID51566581
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name(E)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-(furan-2-yl)prop-2-enamide
SMILESCC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccco2)cc1
InChIInChI=1S/C17H20N2O4S/c1-3-13(2)19-24(21,22)16-9-6-14(7-10-16)18-17(20)11-8-15-5-4-12-23-15/h4-13,19H,3H2,1-2H3,(H,18,20)/b11-8+/t13-/m0/s1
InChIKeyWKIHWLPDBZACCK-YKWSONSWSA-N
XLogP3.01
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
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-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 40597066
(E)-N-[4-(difluoromethylsulfonyl)phenyl]-3-(furan-2-yl)prop-2-enamide
CID 7942006
N-[4-(butan-2-ylsulfamoyl)phenyl]-3-(2-chlorophenyl)prop-2-enamide
CID 4691421
(Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 2298592
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
(E)-N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-3-(furan-2-yl)prop-2-enamide
CID 7921854
(E)-3-(furan-2-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]prop-2-enamide
CID 8922508
(E)-3-(furan-2-yl)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]prop-2-enamide
CID 2572495
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 1072489
3-(furan-2-yl)-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide
CID 5181707
(E)-N-[4-[(dimethylamino)methyl]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 37243408

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-(furan-2-yl)prop-2-enamide (CID 51566581) is (E)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-(furan-2-yl)prop-2-enamide is CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccco2)cc1.
What is the InChIKey of (E)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is WKIHWLPDBZACCK-YKWSONSWSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-3-13(2)19-24(21,22)16-9-6-14(7-10-16)18-17(20)11-8-15-5-4-12-23-15/h4-13,19H,3H2,1-2H3,(H,18,20)/b11-8+/t13-/m0/s1.
What are the key properties of (E)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 348.42 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 51566581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).