(Z)-2-cyano-3-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]-N-(2-phenylethyl)prop-2-enamide

C24H23N3O4S — CID 1136023

IUPAC(Z)-2-cyano-3-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]-N-(2-phenylethyl)prop-2-enamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(/C=C(/C#N)C(=O)NCCc3ccccc3)o2)cc1
InChIInChI=1S/C24H23N3O4S/c1-18-7-11-23(12-8-18)32(29,30)27-17-22-10-9-21(31-22)15-20(16-25)24(28)26-14-13-19-5-3-2-4-6-19/h2-12,15,27H,13-14,17H2,1H3,(H,26,28)/b20-15-
InChIKeyMHRCTPCNJBBTTO-HKWRFOASSA-N
MW449.53 g/mol
LogP3.33
Rot. Bonds9

About (Z)-2-cyano-3-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]-N-(2-phenylethyl)prop-2-enamide

(Z)-2-cyano-3-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]-N-(2-phenylethyl)prop-2-enamide (PubChem CID 1136023) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is (Z)-2-cyano-3-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]-N-(2-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]-N-(2-phenylethyl)prop-2-enamide
PubChem CID1136023
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name(Z)-2-cyano-3-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]-N-(2-phenylethyl)prop-2-enamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(/C=C(/C#N)C(=O)NCCc3ccccc3)o2)cc1
InChIInChI=1S/C24H23N3O4S/c1-18-7-11-23(12-8-18)32(29,30)27-17-22-10-9-21(31-22)15-20(16-25)24(28)26-14-13-19-5-3-2-4-6-19/h2-12,15,27H,13-14,17H2,1H3,(H,26,28)/b20-15-
InChIKeyMHRCTPCNJBBTTO-HKWRFOASSA-N
XLogP3.33
TPSA112.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-benzyl-2-cyano-3-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]prop-2-enamide
CID 1138734
(Z)-2-cyano-N-(4-fluorophenyl)-3-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]prop-2-enamide
CID 1137163
(Z)-3-(5-bromofuran-2-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide
CID 19183908
2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide
CID 5191792
(Z)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-2-cyano-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 1138629
(E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-2-cyano-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 1138626
(Z)-N-benzyl-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide
CID 6379218
N-benzyl-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide
CID 4105918
2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide
CID 1189790
3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-cyano-N-(2-phenylethyl)prop-2-enamide
CID 1178608
(Z)-2-cyano-3-[5-(2-methyl-5-nitrophenyl)furan-2-yl]-N-(3-phenylpropyl)prop-2-enamide
CID 126239289
3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(4-methylphenyl)prop-2-enamide
CID 4014656

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]-N-(2-phenylethyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]-N-(2-phenylethyl)prop-2-enamide (CID 1136023) is (Z)-2-cyano-3-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]-N-(2-phenylethyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]-N-(2-phenylethyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]-N-(2-phenylethyl)prop-2-enamide is Cc1ccc(S(=O)(=O)NCc2ccc(/C=C(/C#N)C(=O)NCCc3ccccc3)o2)cc1.
What is the InChIKey of (Z)-2-cyano-3-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]-N-(2-phenylethyl)prop-2-enamide?
The InChIKey is MHRCTPCNJBBTTO-HKWRFOASSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-18-7-11-23(12-8-18)32(29,30)27-17-22-10-9-21(31-22)15-20(16-25)24(28)26-14-13-19-5-3-2-4-6-19/h2-12,15,27H,13-14,17H2,1H3,(H,26,28)/b20-15-.
What are the key properties of (Z)-2-cyano-3-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]-N-(2-phenylethyl)prop-2-enamide?
(Z)-2-cyano-3-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]-N-(2-phenylethyl)prop-2-enamide has a molecular weight of 449.53 g/mol, XLogP of 3.33, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]-N-(2-phenylethyl)prop-2-enamide is sourced from PubChem (CID 1136023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).