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

C16H17N3O4S3 — CID 20939862

IUPACN-(2-methoxyethyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
SMILESCOCCN(Cc1cccs1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C16H17N3O4S3/c1-23-9-8-19(11-12-3-2-10-24-12)26(21,22)16-7-5-14(25-16)13-4-6-15(20)18-17-13/h2-7,10H,8-9,11H2,1H3,(H,18,20)
InChIKeyYPHBCNRZVJEERX-UHFFFAOYSA-N
MW411.53 g/mol
LogP2.40
Rot. Bonds8

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

N-(2-methoxyethyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 20939862) has the molecular formula C16H17N3O4S3 and a molecular weight of 411.53 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID20939862
Molecular FormulaC16H17N3O4S3
Molecular Weight411.53 g/mol
Exact Mass411.04
IUPAC NameN-(2-methoxyethyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
SMILESCOCCN(Cc1cccs1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C16H17N3O4S3/c1-23-9-8-19(11-12-3-2-10-24-12)26(21,22)16-7-5-14(25-16)13-4-6-15(20)18-17-13/h2-7,10H,8-9,11H2,1H3,(H,18,20)
InChIKeyYPHBCNRZVJEERX-UHFFFAOYSA-N
XLogP2.40
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
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,N-dibutyl-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20923009
N-{2-[(Butan-2-YL)[(thiophen-2-YL)methyl]amino]ethyl}-5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamide
CID 20939837
N-[3-(Morpholin-4-YL)butyl]-5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamide
CID 20939849
N-(3-methoxypropyl)-5-(6-oxo-1,6-dihydropyridazin-3-yl)-N-(2-thienylmethyl)thiophene-2-sulfonamide
CID 20939864
5-(6-Oxo-1,6-dihydropyridazin-3-YL)-N-[(thiophen-2-YL)methyl]thiophene-2-sulfonamide
CID 46280129
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 32648382
N-[2-[[(2R)-butan-2-yl]-(thiophen-2-ylmethyl)amino]ethyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 92692984
N-[2-[[(2S)-butan-2-yl]-(thiophen-2-ylmethyl)amino]ethyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 92692985
N-[(3S)-3-morpholin-4-ylbutyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 92707546

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-methoxyethyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide (CID 20939862) is N-(2-methoxyethyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide is COCCN(Cc1cccs1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1.
What is the InChIKey of N-(2-methoxyethyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is YPHBCNRZVJEERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S3/c1-23-9-8-19(11-12-3-2-10-24-12)26(21,22)16-7-5-14(25-16)13-4-6-15(20)18-17-13/h2-7,10H,8-9,11H2,1H3,(H,18,20).
What are the key properties of N-(2-methoxyethyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
N-(2-methoxyethyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 411.53 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 20939862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).