1-acetyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide

C20H20N4O4S2 — CID 16905831

IUPAC1-acetyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCCn3nc(-c4cccs4)ccc3=O)ccc21
InChIInChI=1S/C20H20N4O4S2/c1-14(25)23-10-8-15-13-16(4-6-18(15)23)30(27,28)21-9-11-24-20(26)7-5-17(22-24)19-3-2-12-29-19/h2-7,12-13,21H,8-11H2,1H3
InChIKeyULSSOVRLTYUVCZ-UHFFFAOYSA-N
MW444.54 g/mol
LogP1.86
Rot. Bonds6

About 1-acetyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 16905831) has the molecular formula C20H20N4O4S2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 1-acetyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID16905831
Molecular FormulaC20H20N4O4S2
Molecular Weight444.54 g/mol
Exact Mass444.09
IUPAC Name1-acetyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCCn3nc(-c4cccs4)ccc3=O)ccc21
InChIInChI=1S/C20H20N4O4S2/c1-14(25)23-10-8-15-13-16(4-6-18(15)23)30(27,28)21-9-11-24-20(26)7-5-17(22-24)19-3-2-12-29-19/h2-7,12-13,21H,8-11H2,1H3
InChIKeyULSSOVRLTYUVCZ-UHFFFAOYSA-N
XLogP1.86
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide (CID 16905831) is 1-acetyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)NCCn3nc(-c4cccs4)ccc3=O)ccc21.
What is the InChIKey of 1-acetyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is ULSSOVRLTYUVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S2/c1-14(25)23-10-8-15-13-16(4-6-18(15)23)30(27,28)21-9-11-24-20(26)7-5-17(22-24)19-3-2-12-29-19/h2-7,12-13,21H,8-11H2,1H3.
What are the key properties of 1-acetyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 444.54 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 16905831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).