2-cyano-3-[5-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-yl]prop-2-enamide

C17H12N4O4S2 — CID 4613880

IUPAC2-cyano-3-[5-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-yl]prop-2-enamide
SMILESN#CC(=Cc1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)o1)C(N)=O
InChIInChI=1S/C17H12N4O4S2/c18-10-12(16(19)22)9-13-3-6-15(25-13)11-1-4-14(5-2-11)27(23,24)21-17-20-7-8-26-17/h1-9H,(H2,19,22)(H,20,21)
InChIKeyLBDYYLPZJCFHEH-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.60
Rot. Bonds6

About 2-cyano-3-[5-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-yl]prop-2-enamide

2-cyano-3-[5-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-yl]prop-2-enamide (PubChem CID 4613880) has the molecular formula C17H12N4O4S2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-cyano-3-[5-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-[5-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-yl]prop-2-enamide
PubChem CID4613880
Molecular FormulaC17H12N4O4S2
Molecular Weight400.44 g/mol
Exact Mass400.03
IUPAC Name2-cyano-3-[5-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-yl]prop-2-enamide
SMILESN#CC(=Cc1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)o1)C(N)=O
InChIInChI=1S/C17H12N4O4S2/c18-10-12(16(19)22)9-13-3-6-15(25-13)11-1-4-14(5-2-11)27(23,24)21-17-20-7-8-26-17/h1-9H,(H2,19,22)(H,20,21)
InChIKeyLBDYYLPZJCFHEH-UHFFFAOYSA-N
XLogP2.60
TPSA139.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamide
CID 2866324
(Z)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 726345
(E)-2-cyano-3-[5-[(4-nitrophenoxy)methyl]furan-2-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 17270038
ethyl (E)-3-[5-[4-(acetylsulfamoyl)phenyl]furan-2-yl]-2-cyanoprop-2-enoate
CID 1273104
2-cyano-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enethioamide
CID 3444453
2-[(5Z)-4-oxo-2-sulfanylidene-5-[[5-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-3-yl]propanoic acid
CID 23474952
4-[5-[(Z)-[3-methyl-5-oxo-1-(4-sulfamoylphenyl)pyrazol-4-ylidene]methyl]furan-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 50885302
4-[5-[(1Z)-3-amino-2,4,4-tricyanobuta-1,3-dienyl]furan-2-yl]benzenesulfonic acid
CID 50885714
2-cyano-N-(4-sulfamoylphenyl)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enamide
CID 3137858
(E)-3-(4-tert-butylphenyl)-2-cyano-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 17381593
(E)-2-cyano-3-(4-propan-2-ylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 19173436
4-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59216632

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-[5-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-yl]prop-2-enamide?
The IUPAC name of 2-cyano-3-[5-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-yl]prop-2-enamide (CID 4613880) is 2-cyano-3-[5-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-yl]prop-2-enamide.
What is the SMILES notation for 2-cyano-3-[5-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-yl]prop-2-enamide?
The canonical SMILES for 2-cyano-3-[5-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-yl]prop-2-enamide is N#CC(=Cc1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)o1)C(N)=O.
What is the InChIKey of 2-cyano-3-[5-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-yl]prop-2-enamide?
The InChIKey is LBDYYLPZJCFHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O4S2/c18-10-12(16(19)22)9-13-3-6-15(25-13)11-1-4-14(5-2-11)27(23,24)21-17-20-7-8-26-17/h1-9H,(H2,19,22)(H,20,21).
What are the key properties of 2-cyano-3-[5-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-yl]prop-2-enamide?
2-cyano-3-[5-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-yl]prop-2-enamide has a molecular weight of 400.44 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-[5-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-yl]prop-2-enamide is sourced from PubChem (CID 4613880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).