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

C17H19N3O4S3 — CID 20939864

IUPACN-(3-methoxypropyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
SMILESCOCCCN(Cc1cccs1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C17H19N3O4S3/c1-24-10-3-9-20(12-13-4-2-11-25-13)27(22,23)17-8-6-15(26-17)14-5-7-16(21)19-18-14/h2,4-8,11H,3,9-10,12H2,1H3,(H,19,21)
InChIKeyOOWYUXPTUUGZRR-UHFFFAOYSA-N
MW425.56 g/mol
LogP2.79
Rot. Bonds9

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

N-(3-methoxypropyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 20939864) has the molecular formula C17H19N3O4S3 and a molecular weight of 425.56 g/mol. Its IUPAC name is N-(3-methoxypropyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID20939864
Molecular FormulaC17H19N3O4S3
Molecular Weight425.56 g/mol
Exact Mass425.05
IUPAC NameN-(3-methoxypropyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
SMILESCOCCCN(Cc1cccs1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C17H19N3O4S3/c1-24-10-3-9-20(12-13-4-2-11-25-13)27(22,23)17-8-6-15(26-17)14-5-7-16(21)19-18-14/h2,4-8,11H,3,9-10,12H2,1H3,(H,19,21)
InChIKeyOOWYUXPTUUGZRR-UHFFFAOYSA-N
XLogP2.79
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[5-({4-[(3-isopropoxypropyl)(methyl)amino]piperidino}sulfonyl)-2-thienyl]-3(2H)-pyridazinone
CID 20939799
3-[5-[4-[3-ethoxypropyl(methyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]-1H-pyridazin-6-one
CID 20939800
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
N-butyl-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20923054
5-(6-Oxo-1,6-dihydropyridazin-3-YL)-N-({1-[2-(thiophen-2-YL)ethyl]piperidin-4-YL}methyl)thiophene-2-sulfonamide
CID 20939857
5-ethyl-N-(2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)ethyl)thiophene-2-sulfonamide
CID 16905800
N,N-dibutyl-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20923009
N-benzyl-N-ethyl-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20923068
N-butyl-N-ethyl-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20939788
N-{2-[(Butan-2-YL)[(thiophen-2-YL)methyl]amino]ethyl}-5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamide
CID 20939837

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-methoxypropyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide (CID 20939864) is N-(3-methoxypropyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-methoxypropyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-methoxypropyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide is COCCCN(Cc1cccs1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1.
What is the InChIKey of N-(3-methoxypropyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is OOWYUXPTUUGZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S3/c1-24-10-3-9-20(12-13-4-2-11-25-13)27(22,23)17-8-6-15(26-17)14-5-7-16(21)19-18-14/h2,4-8,11H,3,9-10,12H2,1H3,(H,19,21).
What are the key properties of N-(3-methoxypropyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
N-(3-methoxypropyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 425.56 g/mol, XLogP of 2.79, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 20939864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).