N-[4-[(7-oxo-4,6-dihydro-3aH-[1,3]thiazolo[5,4-e]indol-1-yl)methylideneamino]phenyl]sulfonylacetamide

C18H16N4O4S2 — CID 57220223

IUPACN-[4-[(7-oxo-4,6-dihydro-3aH-[1,3]thiazolo[5,4-e]indol-1-yl)methylideneamino]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(/N=C/S2=C3C4=CC(=O)NC4=CCC3N=C2)cc1
InChIInChI=1S/C18H16N4O4S2/c1-11(23)22-28(25,26)13-4-2-12(3-5-13)19-9-27-10-20-16-7-6-15-14(18(16)27)8-17(24)21-15/h2-6,8-10,16H,7H2,1H3,(H,21,24)(H,22,23)/b19-9+
InChIKeyKAFCSBCYULEIMD-DJKKODMXSA-N
MW416.48 g/mol
LogP1.37
Rot. Bonds4

About N-[4-[(7-oxo-4,6-dihydro-3aH-[1,3]thiazolo[5,4-e]indol-1-yl)methylideneamino]phenyl]sulfonylacetamide

N-[4-[(7-oxo-4,6-dihydro-3aH-[1,3]thiazolo[5,4-e]indol-1-yl)methylideneamino]phenyl]sulfonylacetamide (PubChem CID 57220223) has the molecular formula C18H16N4O4S2 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[4-[(7-oxo-4,6-dihydro-3aH-[1,3]thiazolo[5,4-e]indol-1-yl)methylideneamino]phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[4-[(7-oxo-4,6-dihydro-3aH-[1,3]thiazolo[5,4-e]indol-1-yl)methylideneamino]phenyl]sulfonylacetamide
PubChem CID57220223
Molecular FormulaC18H16N4O4S2
Molecular Weight416.48 g/mol
Exact Mass416.06
IUPAC NameN-[4-[(7-oxo-4,6-dihydro-3aH-[1,3]thiazolo[5,4-e]indol-1-yl)methylideneamino]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(/N=C/S2=C3C4=CC(=O)NC4=CCC3N=C2)cc1
InChIInChI=1S/C18H16N4O4S2/c1-11(23)22-28(25,26)13-4-2-12(3-5-13)19-9-27-10-20-16-7-6-15-14(18(16)27)8-17(24)21-15/h2-6,8-10,16H,7H2,1H3,(H,21,24)(H,22,23)/b19-9+
InChIKeyKAFCSBCYULEIMD-DJKKODMXSA-N
XLogP1.37
TPSA117.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-[4-[(7-oxo-4,6-dihydro-3aH-[1,3]thiazolo[5,4-e]indol-1-yl)methylideneamino]phenyl]sulfonylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)methylideneamino]benzenesulfonamide
CID 135950091
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
CID 25664826
[4-[(7-oxo-4,6-dihydro-3aH-[1,3]thiazolo[5,4-e]indol-1-yl)methylideneamino]phenyl]methanesulfonamide
CID 57135344
N-(4-acetamidophenyl)sulfonyl-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-phenylacetamide
CID 91555435

Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-oxo-4,6-dihydro-3aH-[1,3]thiazolo[5,4-e]indol-1-yl)methylideneamino]phenyl]sulfonylacetamide?
The IUPAC name of N-[4-[(7-oxo-4,6-dihydro-3aH-[1,3]thiazolo[5,4-e]indol-1-yl)methylideneamino]phenyl]sulfonylacetamide (CID 57220223) is N-[4-[(7-oxo-4,6-dihydro-3aH-[1,3]thiazolo[5,4-e]indol-1-yl)methylideneamino]phenyl]sulfonylacetamide.
What is the SMILES notation for N-[4-[(7-oxo-4,6-dihydro-3aH-[1,3]thiazolo[5,4-e]indol-1-yl)methylideneamino]phenyl]sulfonylacetamide?
The canonical SMILES for N-[4-[(7-oxo-4,6-dihydro-3aH-[1,3]thiazolo[5,4-e]indol-1-yl)methylideneamino]phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1ccc(/N=C/S2=C3C4=CC(=O)NC4=CCC3N=C2)cc1.
What is the InChIKey of N-[4-[(7-oxo-4,6-dihydro-3aH-[1,3]thiazolo[5,4-e]indol-1-yl)methylideneamino]phenyl]sulfonylacetamide?
The InChIKey is KAFCSBCYULEIMD-DJKKODMXSA-N. The full InChI is InChI=1S/C18H16N4O4S2/c1-11(23)22-28(25,26)13-4-2-12(3-5-13)19-9-27-10-20-16-7-6-15-14(18(16)27)8-17(24)21-15/h2-6,8-10,16H,7H2,1H3,(H,21,24)(H,22,23)/b19-9+.
What are the key properties of N-[4-[(7-oxo-4,6-dihydro-3aH-[1,3]thiazolo[5,4-e]indol-1-yl)methylideneamino]phenyl]sulfonylacetamide?
N-[4-[(7-oxo-4,6-dihydro-3aH-[1,3]thiazolo[5,4-e]indol-1-yl)methylideneamino]phenyl]sulfonylacetamide has a molecular weight of 416.48 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-oxo-4,6-dihydro-3aH-[1,3]thiazolo[5,4-e]indol-1-yl)methylideneamino]phenyl]sulfonylacetamide is sourced from PubChem (CID 57220223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).