5-chloro-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-carboxamide

C19H18ClN3O3S — CID 121033838

IUPAC5-chloro-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-carboxamide
SMILESCCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccc(Cl)s3)n2)cc1
InChIInChI=1S/C19H18ClN3O3S/c1-2-26-14-5-3-13(4-6-14)15-7-10-18(24)23(22-15)12-11-21-19(25)16-8-9-17(20)27-16/h3-10H,2,11-12H2,1H3,(H,21,25)
InChIKeyJKRQFPAWBDHWHY-UHFFFAOYSA-N
MW403.89 g/mol
LogP3.45
Rot. Bonds7

About 5-chloro-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-carboxamide

5-chloro-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-carboxamide (PubChem CID 121033838) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is 5-chloro-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-carboxamide
PubChem CID121033838
Molecular FormulaC19H18ClN3O3S
Molecular Weight403.89 g/mol
Exact Mass403.08
IUPAC Name5-chloro-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-carboxamide
SMILESCCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccc(Cl)s3)n2)cc1
InChIInChI=1S/C19H18ClN3O3S/c1-2-26-14-5-3-13(4-6-14)15-7-10-18(24)23(22-15)12-11-21-19(25)16-8-9-17(20)27-16/h3-10H,2,11-12H2,1H3,(H,21,25)
InChIKeyJKRQFPAWBDHWHY-UHFFFAOYSA-N
XLogP3.45
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methoxybenzamide
CID 41241118
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-iodobenzamide
CID 41241225
2,4-dichloro-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]benzamide
CID 41241199
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1,3-benzothiazole-2-carboxamide
CID 121033824
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-iodobenzamide
CID 41241252
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-fluorobenzamide
CID 41241135
3-bromo-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]benzamide
CID 41241203
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2,4-difluorobenzamide
CID 41241218
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050519
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-3,4-diethoxybenzamide
CID 41241080
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 121033720
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517415

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-carboxamide (CID 121033838) is 5-chloro-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-carboxamide is CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccc(Cl)s3)n2)cc1.
What is the InChIKey of 5-chloro-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is JKRQFPAWBDHWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c1-2-26-14-5-3-13(4-6-14)15-7-10-18(24)23(22-15)12-11-21-19(25)16-8-9-17(20)27-16/h3-10H,2,11-12H2,1H3,(H,21,25).
What are the key properties of 5-chloro-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-carboxamide?
5-chloro-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 403.89 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 121033838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).