4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide

C18H20N4O4S2 — CID 23647653

IUPAC4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(-c2ccc(/C=C3\SC(N)=NC3=O)o2)cc1
InChIInChI=1S/C18H20N4O4S2/c1-22(2)10-9-20-28(24,25)14-6-3-12(4-7-14)15-8-5-13(26-15)11-16-17(23)21-18(19)27-16/h3-8,11,20H,9-10H2,1-2H3,(H2,19,21,23)/b16-11-
InChIKeyBIUSOGXDWCLKOI-WJDWOHSUSA-N
MW420.52 g/mol
LogP1.72
Rot. Bonds7

About 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide

4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide (PubChem CID 23647653) has the molecular formula C18H20N4O4S2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
PubChem CID23647653
Molecular FormulaC18H20N4O4S2
Molecular Weight420.52 g/mol
Exact Mass420.09
IUPAC Name4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(-c2ccc(/C=C3\SC(N)=NC3=O)o2)cc1
InChIInChI=1S/C18H20N4O4S2/c1-22(2)10-9-20-28(24,25)14-6-3-12(4-7-14)15-8-5-13(26-15)11-16-17(23)21-18(19)27-16/h3-8,11,20H,9-10H2,1-2H3,(H2,19,21,23)/b16-11-
InChIKeyBIUSOGXDWCLKOI-WJDWOHSUSA-N
XLogP1.72
TPSA118.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide (CID 23647653) is 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide is CN(C)CCNS(=O)(=O)c1ccc(-c2ccc(/C=C3\SC(N)=NC3=O)o2)cc1.
What is the InChIKey of 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The InChIKey is BIUSOGXDWCLKOI-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H20N4O4S2/c1-22(2)10-9-20-28(24,25)14-6-3-12(4-7-14)15-8-5-13(26-15)11-16-17(23)21-18(19)27-16/h3-8,11,20H,9-10H2,1-2H3,(H2,19,21,23)/b16-11-.
What are the key properties of 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide has a molecular weight of 420.52 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 23647653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).