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

C20H24N2O4S — CID 55687353

IUPAC(E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(furan-2-yl)butan-2-yl]prop-2-enamide
SMILESCC(CCc1ccco1)NC(=O)/C=C/c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C20H24N2O4S/c1-15(4-10-18-3-2-14-26-18)21-20(23)13-7-16-5-11-19(12-6-16)27(24,25)22-17-8-9-17/h2-3,5-7,11-15,17,22H,4,8-10H2,1H3,(H,21,23)/b13-7+
InChIKeySWYVDCZSIUPTKS-NTUHNPAUSA-N
MW388.49 g/mol
LogP2.87
Rot. Bonds9

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

(E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(furan-2-yl)butan-2-yl]prop-2-enamide (PubChem CID 55687353) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is (E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(furan-2-yl)butan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(furan-2-yl)butan-2-yl]prop-2-enamide
PubChem CID55687353
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name(E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(furan-2-yl)butan-2-yl]prop-2-enamide
SMILESCC(CCc1ccco1)NC(=O)/C=C/c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C20H24N2O4S/c1-15(4-10-18-3-2-14-26-18)21-20(23)13-7-16-5-11-19(12-6-16)27(24,25)22-17-8-9-17/h2-3,5-7,11-15,17,22H,4,8-10H2,1H3,(H,21,23)/b13-7+
InChIKeySWYVDCZSIUPTKS-NTUHNPAUSA-N
XLogP2.87
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.87
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)-3-(4-aminophenyl)-N-[4-(furan-2-yl)butan-2-yl]prop-2-enamide
CID 115343629
(E)-N-cyclopentyl-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 9214535
(E)-N-cyclohexyl-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 9337836
(E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]prop-2-enamide
CID 55687343
N-[4-(furan-2-yl)butan-2-yl]-4-(methylsulfamoyl)benzamide
CID 18162608
4-[(E)-3-(2,2-dimethylhydrazinyl)-3-oxoprop-1-enyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 9163944
4-[[[(E)-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide
CID 39412399
(E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-(9H-xanthen-9-yl)prop-2-enamide
CID 56547389
N-[4-(furan-2-yl)butan-2-yl]-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 55569665
(E)-N-benzyl-N-butan-2-yl-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide
CID 55687745
(E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-propylprop-2-enamide
CID 35743980
(3S,4S)-N-[4-(furan-2-yl)butan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 114084833

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(furan-2-yl)butan-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(furan-2-yl)butan-2-yl]prop-2-enamide (CID 55687353) is (E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(furan-2-yl)butan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(furan-2-yl)butan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(furan-2-yl)butan-2-yl]prop-2-enamide is CC(CCc1ccco1)NC(=O)/C=C/c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of (E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(furan-2-yl)butan-2-yl]prop-2-enamide?
The InChIKey is SWYVDCZSIUPTKS-NTUHNPAUSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-15(4-10-18-3-2-14-26-18)21-20(23)13-7-16-5-11-19(12-6-16)27(24,25)22-17-8-9-17/h2-3,5-7,11-15,17,22H,4,8-10H2,1H3,(H,21,23)/b13-7+.
What are the key properties of (E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(furan-2-yl)butan-2-yl]prop-2-enamide?
(E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(furan-2-yl)butan-2-yl]prop-2-enamide has a molecular weight of 388.49 g/mol, XLogP of 2.87, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(furan-2-yl)butan-2-yl]prop-2-enamide is sourced from PubChem (CID 55687353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).