3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(4-methylphenyl)prop-2-enamide

C21H20N2O4S — CID 4014656

IUPAC3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)C=Cc2ccc(CNS(=O)(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C21H20N2O4S/c1-16-7-9-17(10-8-16)23-21(24)14-13-18-11-12-19(27-18)15-22-28(25,26)20-5-3-2-4-6-20/h2-14,22H,15H2,1H3,(H,23,24)
InChIKeyZOKZBUPLCOTLDV-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.72
Rot. Bonds7

About 3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(4-methylphenyl)prop-2-enamide

3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(4-methylphenyl)prop-2-enamide (PubChem CID 4014656) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is 3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(4-methylphenyl)prop-2-enamide
PubChem CID4014656
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC Name3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)C=Cc2ccc(CNS(=O)(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C21H20N2O4S/c1-16-7-9-17(10-8-16)23-21(24)14-13-18-11-12-19(27-18)15-22-28(25,26)20-5-3-2-4-6-20/h2-14,22H,15H2,1H3,(H,23,24)
InChIKeyZOKZBUPLCOTLDV-UHFFFAOYSA-N
XLogP3.72
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.72
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-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(4-phenylmethoxyphenyl)prop-2-enamide
CID 126197089
(E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 126198676
(E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(1,3-benzodioxol-5-yl)prop-2-enamide
CID 126196276
(E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(2,6-difluorophenyl)prop-2-enamide
CID 126198755
(E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(5-chloro-2-methoxyphenyl)prop-2-enamide
CID 126198474
(E)-N-[4-(benzylsulfamoyl)phenyl]-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamide
CID 11306657
N-[4-(benzylsulfamoyl)phenyl]-3-phenylprop-2-enamide
CID 4928891
(Z)-2-cyano-N-(4-fluorophenyl)-3-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]prop-2-enamide
CID 1137163
N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 64584740
(E)-N-benzyl-2-cyano-3-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]prop-2-enamide
CID 1138734
1-[(E)-[5-[[(4-chlorophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-3-phenylurea
CID 133225256
1-[(E)-[5-[[(4-bromophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-3-phenylthiourea
CID 133225267

Frequently Asked Questions

What is the IUPAC name of 3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(4-methylphenyl)prop-2-enamide?
The IUPAC name of 3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(4-methylphenyl)prop-2-enamide (CID 4014656) is 3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for 3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for 3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(4-methylphenyl)prop-2-enamide is Cc1ccc(NC(=O)C=Cc2ccc(CNS(=O)(=O)c3ccccc3)o2)cc1.
What is the InChIKey of 3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(4-methylphenyl)prop-2-enamide?
The InChIKey is ZOKZBUPLCOTLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-16-7-9-17(10-8-16)23-21(24)14-13-18-11-12-19(27-18)15-22-28(25,26)20-5-3-2-4-6-20/h2-14,22H,15H2,1H3,(H,23,24).
What are the key properties of 3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(4-methylphenyl)prop-2-enamide?
3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(4-methylphenyl)prop-2-enamide has a molecular weight of 396.47 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 4014656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).