N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

C19H18N4O4S2 — CID 20926908

IUPACN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCN(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C19H18N4O4S2/c1-22(12-18(25)23-11-10-13-4-2-3-5-15(13)23)29(26,27)19-9-7-16(28-19)14-6-8-17(24)21-20-14/h2-9H,10-12H2,1H3,(H,21,24)
InChIKeyJGABMUQNOWLAJQ-UHFFFAOYSA-N
MW430.51 g/mol
LogP1.71
Rot. Bonds5

About N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 20926908) has the molecular formula C19H18N4O4S2 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID20926908
Molecular FormulaC19H18N4O4S2
Molecular Weight430.51 g/mol
Exact Mass430.08
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCN(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C19H18N4O4S2/c1-22(12-18(25)23-11-10-13-4-2-3-5-15(13)23)29(26,27)19-9-7-16(28-19)14-6-8-17(24)21-20-14/h2-9H,10-12H2,1H3,(H,21,24)
InChIKeyJGABMUQNOWLAJQ-UHFFFAOYSA-N
XLogP1.71
TPSA103.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 20926908) is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is CN(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is JGABMUQNOWLAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S2/c1-22(12-18(25)23-11-10-13-4-2-3-5-15(13)23)29(26,27)19-9-7-16(28-19)14-6-8-17(24)21-20-14/h2-9H,10-12H2,1H3,(H,21,24).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 430.51 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20926908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).