N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

C23H28N4O4S2 — CID 20939854

IUPACN-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCOc1ccc(CCN2CCC(CNS(=O)(=O)c3ccc(-c4ccc(=O)[nH]n4)s3)CC2)cc1
InChIInChI=1S/C23H28N4O4S2/c1-31-19-4-2-17(3-5-19)10-13-27-14-11-18(12-15-27)16-24-33(29,30)23-9-7-21(32-23)20-6-8-22(28)26-25-20/h2-9,18,24H,10-16H2,1H3,(H,26,28)
InChIKeyRSQWZVICGNKDNC-UHFFFAOYSA-N
MW488.64 g/mol
LogP2.74
Rot. Bonds9

About N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 20939854) has the molecular formula C23H28N4O4S2 and a molecular weight of 488.64 g/mol. Its IUPAC name is N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID20939854
Molecular FormulaC23H28N4O4S2
Molecular Weight488.64 g/mol
Exact Mass488.16
IUPAC NameN-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCOc1ccc(CCN2CCC(CNS(=O)(=O)c3ccc(-c4ccc(=O)[nH]n4)s3)CC2)cc1
InChIInChI=1S/C23H28N4O4S2/c1-31-19-4-2-17(3-5-19)10-13-27-14-11-18(12-15-27)16-24-33(29,30)23-9-7-21(32-23)20-6-8-22(28)26-25-20/h2-9,18,24H,10-16H2,1H3,(H,26,28)
InChIKeyRSQWZVICGNKDNC-UHFFFAOYSA-N
XLogP2.74
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.64
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide
CID 171910981
N-[[(2S)-oxolan-2-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 92723328
4-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-2H-phthalazin-1-one
CID 58188835
5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide
CID 20936312
1-(5-ethylthiophen-2-yl)sulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperazine
CID 113074376
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)methanesulfonamide
CID 16887679
4-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-2H-phthalazin-1-one;hydrochloride
CID 11582098
2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 92559574
2-(4-methoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 16888085
N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]thiohydroxylamine
CID 123350321
N-[2-(dimethylamino)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide
CID 24732325
N-[(4-fluorophenyl)methyl]-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 26407576

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 20939854) is N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is COc1ccc(CCN2CCC(CNS(=O)(=O)c3ccc(-c4ccc(=O)[nH]n4)s3)CC2)cc1.
What is the InChIKey of N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is RSQWZVICGNKDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S2/c1-31-19-4-2-17(3-5-19)10-13-27-14-11-18(12-15-27)16-24-33(29,30)23-9-7-21(32-23)20-6-8-22(28)26-25-20/h2-9,18,24H,10-16H2,1H3,(H,26,28).
What are the key properties of N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 488.64 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20939854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).