N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide

C24H28N4O5S — CID 121048631

IUPACN-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESCOCCn1nc(CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccccc2c1=O
InChIInChI=1S/C24H28N4O5S/c1-33-16-15-28-24(30)21-8-4-3-7-20(21)22(26-28)17-25-23(29)18-9-11-19(12-10-18)34(31,32)27-13-5-2-6-14-27/h3-4,7-12H,2,5-6,13-17H2,1H3,(H,25,29)
InChIKeyWADXGKKSBPIOQR-UHFFFAOYSA-N
MW484.58 g/mol
LogP2.15
Rot. Bonds8

About N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide

N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 121048631) has the molecular formula C24H28N4O5S and a molecular weight of 484.58 g/mol. Its IUPAC name is N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide
PubChem CID121048631
Molecular FormulaC24H28N4O5S
Molecular Weight484.58 g/mol
Exact Mass484.18
IUPAC NameN-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESCOCCn1nc(CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccccc2c1=O
InChIInChI=1S/C24H28N4O5S/c1-33-16-15-28-24(30)21-8-4-3-7-20(21)22(26-28)17-25-23(29)18-9-11-19(12-10-18)34(31,32)27-13-5-2-6-14-27/h3-4,7-12H,2,5-6,13-17H2,1H3,(H,25,29)
InChIKeyWADXGKKSBPIOQR-UHFFFAOYSA-N
XLogP2.15
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 121049286
4-(dimethylsulfamoyl)-N-[[4-oxo-3-(2-pyrrolidin-1-ylethyl)phthalazin-1-yl]methyl]benzamide
CID 90490510
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]cyclopropanecarboxamide
CID 121048517
4-morpholin-4-ylsulfonyl-N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]benzamide
CID 121049288
methyl 2-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methylcarbamoyl]benzoate
CID 121048641
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-2-methylpropanamide
CID 121048510
3-(dimethylamino)-N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]benzamide
CID 121048691
ethyl 2-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methylamino]-2-oxoacetate
CID 121048529
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-4-oxo-4-phenylbutanamide
CID 121048455
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]furan-2-carboxamide
CID 121048633
1-benzhydryl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea
CID 121048755
5-bromo-2-chloro-N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]benzamide
CID 121048573

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide (CID 121048631) is N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide is COCCn1nc(CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccccc2c1=O.
What is the InChIKey of N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is WADXGKKSBPIOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5S/c1-33-16-15-28-24(30)21-8-4-3-7-20(21)22(26-28)17-25-23(29)18-9-11-19(12-10-18)34(31,32)27-13-5-2-6-14-27/h3-4,7-12H,2,5-6,13-17H2,1H3,(H,25,29).
What are the key properties of N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide?
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 484.58 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 121048631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).