N-[6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylpyridazin-3-yl]thiophene-2-carboxamide

C19H16N4O2S2 — CID 42139496

IUPACN-[6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylpyridazin-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(SCC(=O)N2CCc3ccccc32)nn1)c1cccs1
InChIInChI=1S/C19H16N4O2S2/c24-18(23-10-9-13-4-1-2-5-14(13)23)12-27-17-8-7-16(21-22-17)20-19(25)15-6-3-11-26-15/h1-8,11H,9-10,12H2,(H,20,21,25)
InChIKeyJHTPEISYVOEGJM-UHFFFAOYSA-N
MW396.50 g/mol
LogP3.47
Rot. Bonds5

About N-[6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylpyridazin-3-yl]thiophene-2-carboxamide

N-[6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylpyridazin-3-yl]thiophene-2-carboxamide (PubChem CID 42139496) has the molecular formula C19H16N4O2S2 and a molecular weight of 396.50 g/mol. Its IUPAC name is N-[6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylpyridazin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylpyridazin-3-yl]thiophene-2-carboxamide
PubChem CID42139496
Molecular FormulaC19H16N4O2S2
Molecular Weight396.50 g/mol
Exact Mass396.07
IUPAC NameN-[6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylpyridazin-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(SCC(=O)N2CCc3ccccc32)nn1)c1cccs1
InChIInChI=1S/C19H16N4O2S2/c24-18(23-10-9-13-4-1-2-5-14(13)23)12-27-17-8-7-16(21-22-17)20-19(25)15-6-3-11-26-15/h1-8,11H,9-10,12H2,(H,20,21,25)
InChIKeyJHTPEISYVOEGJM-UHFFFAOYSA-N
XLogP3.47
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 5051757
N-[6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylpyridazin-3-yl]thiophene-2-carboxamide
CID 42111617
benzyl 2-[6-(thiophene-2-carbonylamino)pyridazin-3-yl]sulfanylacetate
CID 42139423
N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide
CID 47548533
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)benzamide
CID 2525969
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(3-methylbutan-2-yl)benzamide
CID 78780144
1-(2,3-dihydroindol-1-yl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylethanone
CID 9206940
N-[1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 55869916
N-[amino(2,3-dihydroindol-1-yl)methylidene]thiophene-2-carboxamide
CID 22149279
1-(2,3-dihydroindol-1-yl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylethanone
CID 7672559
N-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 3688160
1-(2,3-dihydroindol-1-yl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone
CID 7117781

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylpyridazin-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylpyridazin-3-yl]thiophene-2-carboxamide (CID 42139496) is N-[6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylpyridazin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylpyridazin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylpyridazin-3-yl]thiophene-2-carboxamide is O=C(Nc1ccc(SCC(=O)N2CCc3ccccc32)nn1)c1cccs1.
What is the InChIKey of N-[6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylpyridazin-3-yl]thiophene-2-carboxamide?
The InChIKey is JHTPEISYVOEGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S2/c24-18(23-10-9-13-4-1-2-5-14(13)23)12-27-17-8-7-16(21-22-17)20-19(25)15-6-3-11-26-15/h1-8,11H,9-10,12H2,(H,20,21,25).
What are the key properties of N-[6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylpyridazin-3-yl]thiophene-2-carboxamide?
N-[6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylpyridazin-3-yl]thiophene-2-carboxamide has a molecular weight of 396.50 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylpyridazin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 42139496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).