2-cyano-N-(4-sulfamoylphenyl)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enamide

C20H16N4O6S2 — CID 3137858

IUPAC2-cyano-N-(4-sulfamoylphenyl)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enamide
SMILESN#CC(=Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H16N4O6S2/c21-12-14(20(25)24-15-3-8-18(9-4-15)32(23,28)29)11-16-5-10-19(30-16)13-1-6-17(7-2-13)31(22,26)27/h1-11H,(H,24,25)(H2,22,26,27)(H2,23,28,29)
InChIKeyVQXXLCRMLNJLNR-UHFFFAOYSA-N
MW472.50 g/mol
LogP1.79
Rot. Bonds6

About 2-cyano-N-(4-sulfamoylphenyl)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enamide

2-cyano-N-(4-sulfamoylphenyl)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enamide (PubChem CID 3137858) has the molecular formula C20H16N4O6S2 and a molecular weight of 472.50 g/mol. Its IUPAC name is 2-cyano-N-(4-sulfamoylphenyl)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name2-cyano-N-(4-sulfamoylphenyl)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enamide
PubChem CID3137858
Molecular FormulaC20H16N4O6S2
Molecular Weight472.50 g/mol
Exact Mass472.05
IUPAC Name2-cyano-N-(4-sulfamoylphenyl)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enamide
SMILESN#CC(=Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H16N4O6S2/c21-12-14(20(25)24-15-3-8-18(9-4-15)32(23,28)29)11-16-5-10-19(30-16)13-1-6-17(7-2-13)31(22,26)27/h1-11H,(H,24,25)(H2,22,26,27)(H2,23,28,29)
InChIKeyVQXXLCRMLNJLNR-UHFFFAOYSA-N
XLogP1.79
TPSA186.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 51.79
H-Bond Donors ≤ 53
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

2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 3137908
(E)-2-cyano-N-(2,5-dichlorophenyl)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enamide
CID 1070895
4-[5-[(E)-3-(4-carboxyanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
CID 45326893
2-cyano-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enethioamide
CID 3444453
3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-2-cyano-N-(4-sulfamoylphenyl)prop-2-enamide
CID 74671446
(E)-2-cyano-3-(furan-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 788171
4-[5-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate
CID 7299730
(Z)-N-(4-bromophenyl)-2-cyano-3-[5-(4-cyanophenyl)furan-2-yl]prop-2-enamide
CID 126028720
3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-phenylprop-2-enamide
CID 796826
4-[5-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
CID 6067734
(E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-phenylprop-2-enamide
CID 18863272
4-[5-[2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
CID 2874734

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-sulfamoylphenyl)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enamide?
The IUPAC name of 2-cyano-N-(4-sulfamoylphenyl)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enamide (CID 3137858) is 2-cyano-N-(4-sulfamoylphenyl)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for 2-cyano-N-(4-sulfamoylphenyl)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for 2-cyano-N-(4-sulfamoylphenyl)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enamide is N#CC(=Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-cyano-N-(4-sulfamoylphenyl)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enamide?
The InChIKey is VQXXLCRMLNJLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O6S2/c21-12-14(20(25)24-15-3-8-18(9-4-15)32(23,28)29)11-16-5-10-19(30-16)13-1-6-17(7-2-13)31(22,26)27/h1-11H,(H,24,25)(H2,22,26,27)(H2,23,28,29).
What are the key properties of 2-cyano-N-(4-sulfamoylphenyl)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enamide?
2-cyano-N-(4-sulfamoylphenyl)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enamide has a molecular weight of 472.50 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4-sulfamoylphenyl)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 3137858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).