N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide

C20H28N4O5S — CID 55658002

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
SMILESCC1CN(S(=O)(=O)CCNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)CC(C)O1
InChIInChI=1S/C20H28N4O5S/c1-13(2)24-20(26)17-8-6-5-7-16(17)18(22-24)19(25)21-9-10-30(27,28)23-11-14(3)29-15(4)12-23/h5-8,13-15H,9-12H2,1-4H3,(H,21,25)
InChIKeyHRIOAABXXFKONJ-UHFFFAOYSA-N
MW436.53 g/mol
LogP1.15
Rot. Bonds6

About N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide

N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide (PubChem CID 55658002) has the molecular formula C20H28N4O5S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
PubChem CID55658002
Molecular FormulaC20H28N4O5S
Molecular Weight436.53 g/mol
Exact Mass436.18
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
SMILESCC1CN(S(=O)(=O)CCNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)CC(C)O1
InChIInChI=1S/C20H28N4O5S/c1-13(2)24-20(26)17-8-6-5-7-16(17)18(22-24)19(25)21-9-10-30(27,28)23-11-14(3)29-15(4)12-23/h5-8,13-15H,9-12H2,1-4H3,(H,21,25)
InChIKeyHRIOAABXXFKONJ-UHFFFAOYSA-N
XLogP1.15
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-hydroxy-4-methylpentyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 111461070
2-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]benzamide
CID 51941813
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 42959764
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methylbenzamide
CID 42959769
2-benzyl-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-1,3-thiazole-4-carboxamide
CID 51941759
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-5-methylthiophene-2-carboxamide
CID 51728926
4-oxo-3-propan-2-yl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]phthalazine-1-carboxamide
CID 46551291
N-(benzenesulfonyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 87011272
4-oxo-N-[3-(2-oxoazepan-1-yl)propyl]-3-propan-2-ylphthalazine-1-carboxamide
CID 46450454
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 55713239
1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-methyl-3-(2-phenylpropyl)guanidine
CID 111343423
N-[(4-fluorophenyl)methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 2592153

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide (CID 55658002) is N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide is CC1CN(S(=O)(=O)CCNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)CC(C)O1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
The InChIKey is HRIOAABXXFKONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O5S/c1-13(2)24-20(26)17-8-6-5-7-16(17)18(22-24)19(25)21-9-10-30(27,28)23-11-14(3)29-15(4)12-23/h5-8,13-15H,9-12H2,1-4H3,(H,21,25).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide has a molecular weight of 436.53 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide is sourced from PubChem (CID 55658002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).