5-(6-oxo-1H-pyridazin-3-yl)-N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide

C20H24N4O3S3 — CID 20939857

IUPAC5-(6-oxo-1H-pyridazin-3-yl)-N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)NCC3CCN(CCc4cccs4)CC3)s2)n[nH]1
InChIInChI=1S/C20H24N4O3S3/c25-19-5-3-17(22-23-19)18-4-6-20(29-18)30(26,27)21-14-15-7-10-24(11-8-15)12-9-16-2-1-13-28-16/h1-6,13,15,21H,7-12,14H2,(H,23,25)
InChIKeyWFTAEASAXHICHH-UHFFFAOYSA-N
MW464.64 g/mol
LogP2.79
Rot. Bonds8

About 5-(6-oxo-1H-pyridazin-3-yl)-N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide

5-(6-oxo-1H-pyridazin-3-yl)-N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide (PubChem CID 20939857) has the molecular formula C20H24N4O3S3 and a molecular weight of 464.64 g/mol. Its IUPAC name is 5-(6-oxo-1H-pyridazin-3-yl)-N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(6-oxo-1H-pyridazin-3-yl)-N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide
PubChem CID20939857
Molecular FormulaC20H24N4O3S3
Molecular Weight464.64 g/mol
Exact Mass464.10
IUPAC Name5-(6-oxo-1H-pyridazin-3-yl)-N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)NCC3CCN(CCc4cccs4)CC3)s2)n[nH]1
InChIInChI=1S/C20H24N4O3S3/c25-19-5-3-17(22-23-19)18-4-6-20(29-18)30(26,27)21-14-15-7-10-24(11-8-15)12-9-16-2-1-13-28-16/h1-6,13,15,21H,7-12,14H2,(H,23,25)
InChIKeyWFTAEASAXHICHH-UHFFFAOYSA-N
XLogP2.79
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.64
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-({1-[(2-Fluorophenyl)methyl]piperidin-4-YL}methyl)-5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamide
CID 20939843
N~2~-Benzyl-N~2~-[2-(dimethylamino)ethyl]-5-(6-oxo-1,6-dihydro-3-pyridazinyl)-2-thiophenesulfonamide
CID 20939787
N-({1-[(4-Methylphenyl)methyl]piperidin-4-YL}methyl)-5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamide
CID 20939815
N-({1-[(3-Fluorophenyl)methyl]piperidin-4-YL}methyl)-5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamide
CID 20939852
N-(2-Methoxyethyl)-5-(6-oxo-1,6-dihydropyridazin-3-YL)-N-[(thiophen-2-YL)methyl]thiophene-2-sulfonamide
CID 20939862
N-Butyl-5-(6-oxo-1,6-dihydropyridazin-3-YL)-N-[(thiophen-2-YL)methyl]thiophene-2-sulfonamide
CID 20939863
5-(6-oxo-1H-pyridazin-3-yl)-N-(1-thiophen-2-ylbutyl)thiophene-2-sulfonamide
CID 20970046
6-[5-({4-[Methyl(propan-2-YL)amino]piperidin-1-YL}sulfonyl)thiophen-2-YL]-2,3-dihydropyridazin-3-one
CID 20939822
N-[(E)-thiophen-2-ylmethylideneamino]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 6899945
N,N-bis(2-methylpropyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20923044
N-[3-(azepan-1-yl)propyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20939805
5-(6-Oxo-1,6-dihydropyridazin-3-YL)-N-[2-(pyrrolidin-1-YL)ethyl]thiophene-2-sulfonamide
CID 20939807

Frequently Asked Questions

What is the IUPAC name of 5-(6-oxo-1H-pyridazin-3-yl)-N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(6-oxo-1H-pyridazin-3-yl)-N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide (CID 20939857) is 5-(6-oxo-1H-pyridazin-3-yl)-N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(6-oxo-1H-pyridazin-3-yl)-N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(6-oxo-1H-pyridazin-3-yl)-N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide is O=c1ccc(-c2ccc(S(=O)(=O)NCC3CCN(CCc4cccs4)CC3)s2)n[nH]1.
What is the InChIKey of 5-(6-oxo-1H-pyridazin-3-yl)-N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is WFTAEASAXHICHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S3/c25-19-5-3-17(22-23-19)18-4-6-20(29-18)30(26,27)21-14-15-7-10-24(11-8-15)12-9-16-2-1-13-28-16/h1-6,13,15,21H,7-12,14H2,(H,23,25).
What are the key properties of 5-(6-oxo-1H-pyridazin-3-yl)-N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide?
5-(6-oxo-1H-pyridazin-3-yl)-N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 464.64 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-oxo-1H-pyridazin-3-yl)-N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 20939857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).