1-acetyl-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-2,3-dihydroindole-5-sulfonamide

C18H20N2O4S2 — CID 2821092

IUPAC1-acetyl-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N=S(C)(=O)c3ccc(C)cc3)ccc21
InChIInChI=1S/C18H20N2O4S2/c1-13-4-6-16(7-5-13)25(3,22)19-26(23,24)17-8-9-18-15(12-17)10-11-20(18)14(2)21/h4-9,12H,10-11H2,1-3H3
InChIKeyLXCSKRDJEQRHJH-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.75
Rot. Bonds3

About 1-acetyl-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-2,3-dihydroindole-5-sulfonamide (PubChem CID 2821092) has the molecular formula C18H20N2O4S2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-acetyl-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-2,3-dihydroindole-5-sulfonamide
PubChem CID2821092
Molecular FormulaC18H20N2O4S2
Molecular Weight392.50 g/mol
Exact Mass392.09
IUPAC Name1-acetyl-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N=S(C)(=O)c3ccc(C)cc3)ccc21
InChIInChI=1S/C18H20N2O4S2/c1-13-4-6-16(7-5-13)25(3,22)19-26(23,24)17-8-9-18-15(12-17)10-11-20(18)14(2)21/h4-9,12H,10-11H2,1-3H3
InChIKeyLXCSKRDJEQRHJH-UHFFFAOYSA-N
XLogP2.75
TPSA83.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-acetyl-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-2,3-dihydroindole-5-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-2,3-dihydroindole-5-sulfonamide (CID 2821092) is 1-acetyl-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)N=S(C)(=O)c3ccc(C)cc3)ccc21.
What is the InChIKey of 1-acetyl-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is LXCSKRDJEQRHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S2/c1-13-4-6-16(7-5-13)25(3,22)19-26(23,24)17-8-9-18-15(12-17)10-11-20(18)14(2)21/h4-9,12H,10-11H2,1-3H3.
What are the key properties of 1-acetyl-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 392.50 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 2821092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).