N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]-4-pyrrolidin-1-ylsulfonylbenzamide

C24H26N4O5S — CID 26845169

IUPACN-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(-c2ccc(OCCNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)nn2)cc1
InChIInChI=1S/C24H26N4O5S/c1-32-20-8-4-18(5-9-20)22-12-13-23(27-26-22)33-17-14-25-24(29)19-6-10-21(11-7-19)34(30,31)28-15-2-3-16-28/h4-13H,2-3,14-17H2,1H3,(H,25,29)
InChIKeyILAXWKLVSPDUOB-UHFFFAOYSA-N
MW482.56 g/mol
LogP2.75
Rot. Bonds9

About N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 26845169) has the molecular formula C24H26N4O5S and a molecular weight of 482.56 g/mol. Its IUPAC name is N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID26845169
Molecular FormulaC24H26N4O5S
Molecular Weight482.56 g/mol
Exact Mass482.16
IUPAC NameN-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(-c2ccc(OCCNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)nn2)cc1
InChIInChI=1S/C24H26N4O5S/c1-32-20-8-4-18(5-9-20)22-12-13-23(27-26-22)33-17-14-25-24(29)19-6-10-21(11-7-19)34(30,31)28-15-2-3-16-28/h4-13H,2-3,14-17H2,1H3,(H,25,29)
InChIKeyILAXWKLVSPDUOB-UHFFFAOYSA-N
XLogP2.75
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 52.75
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

N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 16867196
4-chloro-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide
CID 18589564
4-methoxy-N-[4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butyl]benzamide
CID 55624016
2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]ethyl-di(propan-2-yl)azanium
CID 8919223
N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 24542872
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride
CID 18558661
N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-methoxybenzenesulfonamide
CID 41246477
N-[1-(4-methoxyphenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 78625788
methyl 4-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]butanoate
CID 8698092
4-iodo-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzamide
CID 27564835
N-[(3-methoxyphenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973692
3,5-dimethoxy-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 30125401

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 26845169) is N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]-4-pyrrolidin-1-ylsulfonylbenzamide is COc1ccc(-c2ccc(OCCNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)nn2)cc1.
What is the InChIKey of N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is ILAXWKLVSPDUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5S/c1-32-20-8-4-18(5-9-20)22-12-13-23(27-26-22)33-17-14-25-24(29)19-6-10-21(11-7-19)34(30,31)28-15-2-3-16-28/h4-13H,2-3,14-17H2,1H3,(H,25,29).
What are the key properties of N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 482.56 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 26845169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).