N-butyl-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide

C17H19N3O3S3 — CID 20939863

IUPACN-butyl-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
SMILESCCCCN(Cc1cccs1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C17H19N3O3S3/c1-2-3-10-20(12-13-5-4-11-24-13)26(22,23)17-9-7-15(25-17)14-6-8-16(21)19-18-14/h4-9,11H,2-3,10,12H2,1H3,(H,19,21)
InChIKeyAECDLOIQBUGFDB-UHFFFAOYSA-N
MW409.56 g/mol
LogP3.55
Rot. Bonds8

About N-butyl-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide

N-butyl-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 20939863) has the molecular formula C17H19N3O3S3 and a molecular weight of 409.56 g/mol. Its IUPAC name is N-butyl-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-butyl-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID20939863
Molecular FormulaC17H19N3O3S3
Molecular Weight409.56 g/mol
Exact Mass409.06
IUPAC NameN-butyl-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
SMILESCCCCN(Cc1cccs1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C17H19N3O3S3/c1-2-3-10-20(12-13-5-4-11-24-13)26(22,23)17-9-7-15(25-17)14-6-8-16(21)19-18-14/h4-9,11H,2-3,10,12H2,1H3,(H,19,21)
InChIKeyAECDLOIQBUGFDB-UHFFFAOYSA-N
XLogP3.55
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N~2~-Benzyl-N~2~-[2-(dimethylamino)ethyl]-5-(6-oxo-1,6-dihydro-3-pyridazinyl)-2-thiophenesulfonamide
CID 20939787
N-(2-Methoxyethyl)-5-(6-oxo-1,6-dihydropyridazin-3-YL)-N-[(thiophen-2-YL)methyl]thiophene-2-sulfonamide
CID 20939862
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-(2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)ethyl)thiophene-2-sulfonamide
CID 16905799
N,N-bis(2-methylpropyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20923044
N-butyl-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20923054
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
5-(6-Oxo-1,6-dihydropyridazin-3-YL)-N-({1-[2-(thiophen-2-YL)ethyl]piperidin-4-YL}methyl)thiophene-2-sulfonamide
CID 20939857
N'-[1-(phenylsulfonyl)-4-piperidinylidene]-2-thiophenecarbohydrazide
CID 1489047
5-ethyl-N-(2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)ethyl)thiophene-2-sulfonamide
CID 16905800

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of N-butyl-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide (CID 20939863) is N-butyl-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-butyl-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-butyl-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide is CCCCN(Cc1cccs1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1.
What is the InChIKey of N-butyl-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is AECDLOIQBUGFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S3/c1-2-3-10-20(12-13-5-4-11-24-13)26(22,23)17-9-7-15(25-17)14-6-8-16(21)19-18-14/h4-9,11H,2-3,10,12H2,1H3,(H,19,21).
What are the key properties of N-butyl-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
N-butyl-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 409.56 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 20939863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).