2-cyclopentyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide

C17H21N3O2S — CID 16668846

IUPAC2-cyclopentyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
SMILESO=C(CC1CCCC1)NCCn1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C17H21N3O2S/c21-16(12-13-4-1-2-5-13)18-9-10-20-17(22)8-7-14(19-20)15-6-3-11-23-15/h3,6-8,11,13H,1-2,4-5,9-10,12H2,(H,18,21)
InChIKeyWDUXJSFJCVDITL-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.67
Rot. Bonds6

About 2-cyclopentyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide

2-cyclopentyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide (PubChem CID 16668846) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-cyclopentyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
PubChem CID16668846
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-cyclopentyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
SMILESO=C(CC1CCCC1)NCCn1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C17H21N3O2S/c21-16(12-13-4-1-2-5-13)18-9-10-20-17(22)8-7-14(19-20)15-6-3-11-23-15/h3,6-8,11,13H,1-2,4-5,9-10,12H2,(H,18,21)
InChIKeyWDUXJSFJCVDITL-UHFFFAOYSA-N
XLogP2.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-oxo-3-phenyl-5,6-dihydropyridazin-1(4H)-yl)-N-(thien-2-ylmethyl)acetamide
CID 16195610
2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)acetamide
CID 16673452
2-(4-fluorophenyl)-N-(2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)ethyl)acetamide
CID 16675147
2,6-difluoro-N-(2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)ethyl)benzamide
CID 16905668
N-(3-(3-(4-fluorophenyl)-6-oxopyridazin-1(6H)-yl)propyl)-2-(thiophen-2-yl)acetamide
CID 25881823
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 46960788
2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)propanamide
CID 46961373
N-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]thiophene-2-carboxamide
CID 110223057
N-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110223059
N-(2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)ethyl)-2-(thiophen-2-yl)acetamide
CID 16905691
N-(2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)ethyl)-2-propylpentanamide
CID 16905713
N-(2-(6-oxo-3-phenylpyridazin-1(6H)-yl)ethyl)thiophene-2-carboxamide
CID 18569609

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide (CID 16668846) is 2-cyclopentyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide is O=C(CC1CCCC1)NCCn1nc(-c2cccs2)ccc1=O.
What is the InChIKey of 2-cyclopentyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide?
The InChIKey is WDUXJSFJCVDITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c21-16(12-13-4-1-2-5-13)18-9-10-20-17(22)8-7-14(19-20)15-6-3-11-23-15/h3,6-8,11,13H,1-2,4-5,9-10,12H2,(H,18,21).
What are the key properties of 2-cyclopentyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide?
2-cyclopentyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide has a molecular weight of 331.44 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 16668846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).