(Z)-2-cyano-N-cyclohexyl-3-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]prop-2-enamide

C24H27N3O5S — CID 2423978

IUPAC(Z)-2-cyano-N-cyclohexyl-3-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]prop-2-enamide
SMILESN#C/C(=C/c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)C(=O)NC1CCCCC1
InChIInChI=1S/C24H27N3O5S/c25-17-19(24(28)26-20-4-2-1-3-5-20)16-21-8-11-23(32-21)18-6-9-22(10-7-18)33(29,30)27-12-14-31-15-13-27/h6-11,16,20H,1-5,12-15H2,(H,26,28)/b19-16-
InChIKeyNFEJNSQBUOMFNQ-MNDPQUGUSA-N
MW469.56 g/mol
LogP3.32
Rot. Bonds6

About (Z)-2-cyano-N-cyclohexyl-3-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]prop-2-enamide

(Z)-2-cyano-N-cyclohexyl-3-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]prop-2-enamide (PubChem CID 2423978) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is (Z)-2-cyano-N-cyclohexyl-3-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-cyclohexyl-3-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]prop-2-enamide
PubChem CID2423978
Molecular FormulaC24H27N3O5S
Molecular Weight469.56 g/mol
Exact Mass469.17
IUPAC Name(Z)-2-cyano-N-cyclohexyl-3-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]prop-2-enamide
SMILESN#C/C(=C/c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)C(=O)NC1CCCCC1
InChIInChI=1S/C24H27N3O5S/c25-17-19(24(28)26-20-4-2-1-3-5-20)16-21-8-11-23(32-21)18-6-9-22(10-7-18)33(29,30)27-12-14-31-15-13-27/h6-11,16,20H,1-5,12-15H2,(H,26,28)/b19-16-
InChIKeyNFEJNSQBUOMFNQ-MNDPQUGUSA-N
XLogP3.32
TPSA112.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (Z)-2-cyano-N-cyclohexyl-3-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]prop-2-enamide with MolForge

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Launch Full Analysis

Related Compounds

(E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-cyclohexylprop-2-enamide
CID 1124180
(Z)-2-cyano-N-cyclopentyl-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 124925368
(E)-3-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]-2-(4-propylbenzoyl)prop-2-enenitrile
CID 6072416
2-chloro-4-[5-[(E)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
CID 7333379
(E)-2-cyano-N-cyclopropyl-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide
CID 56950928
(E)-2-cyano-N-cyclohexyl-3-(5-iodofuran-2-yl)prop-2-enamide
CID 1272261
3-[5-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]furan-2-yl]-2-methylbenzoic acid
CID 6085751
(E)-2-cyano-N-cyclohexyl-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 9247292
3-[5-[(E)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-enyl]furan-2-yl]-2-methylbenzoic acid
CID 7333381
(Z)-2-cyano-N-(oxolan-2-ylmethyl)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enamide
CID 6384496
methyl 4-[5-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]furan-2-yl]-3-methylbenzoate
CID 126120765
(E)-2-cyano-N-cyclohexyl-3-(2-morpholin-4-yl-5-nitrophenyl)prop-2-enamide
CID 21213871

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-cyclohexyl-3-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-cyclohexyl-3-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]prop-2-enamide (CID 2423978) is (Z)-2-cyano-N-cyclohexyl-3-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-cyclohexyl-3-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-cyclohexyl-3-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]prop-2-enamide is N#C/C(=C/c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)C(=O)NC1CCCCC1.
What is the InChIKey of (Z)-2-cyano-N-cyclohexyl-3-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]prop-2-enamide?
The InChIKey is NFEJNSQBUOMFNQ-MNDPQUGUSA-N. The full InChI is InChI=1S/C24H27N3O5S/c25-17-19(24(28)26-20-4-2-1-3-5-20)16-21-8-11-23(32-21)18-6-9-22(10-7-18)33(29,30)27-12-14-31-15-13-27/h6-11,16,20H,1-5,12-15H2,(H,26,28)/b19-16-.
What are the key properties of (Z)-2-cyano-N-cyclohexyl-3-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]prop-2-enamide?
(Z)-2-cyano-N-cyclohexyl-3-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]prop-2-enamide has a molecular weight of 469.56 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-cyclohexyl-3-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 2423978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).