4-methyl-2-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]phthalazin-1-one

C25H28N4O4S — CID 29416493

IUPAC4-methyl-2-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]phthalazin-1-one
SMILESCc1nn(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c(=O)c2ccccc12
InChIInChI=1S/C25H28N4O4S/c1-18-22-8-4-5-9-23(22)25(31)29(26-18)17-24(30)27-12-14-28(15-13-27)34(32,33)21-11-10-19-6-2-3-7-20(19)16-21/h4-5,8-11,16H,2-3,6-7,12-15,17H2,1H3
InChIKeyGTYJDSLQXWOLSJ-UHFFFAOYSA-N
MW480.59 g/mol
LogP2.12
Rot. Bonds4

About 4-methyl-2-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]phthalazin-1-one

4-methyl-2-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]phthalazin-1-one (PubChem CID 29416493) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is 4-methyl-2-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]phthalazin-1-one.

Molecular Properties

Compound Name4-methyl-2-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]phthalazin-1-one
PubChem CID29416493
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC Name4-methyl-2-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]phthalazin-1-one
SMILESCc1nn(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c(=O)c2ccccc12
InChIInChI=1S/C25H28N4O4S/c1-18-22-8-4-5-9-23(22)25(31)29(26-18)17-24(30)27-12-14-28(15-13-27)34(32,33)21-11-10-19-6-2-3-7-20(19)16-21/h4-5,8-11,16H,2-3,6-7,12-15,17H2,1H3
InChIKeyGTYJDSLQXWOLSJ-UHFFFAOYSA-N
XLogP2.12
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]phthalazin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 17478157
4-methyl-2-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]ethyl]phthalazin-1-one
CID 55973852
3,3-dimethyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]butan-1-one
CID 24543782
1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110365789
3-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one
CID 31583091
1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pentane-1,4-dione
CID 8641292
2-[(2R)-2-methylpiperidin-1-yl]-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethanone
CID 8623032
2-(1,2-benzoxazol-3-yl)-1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]ethanone
CID 26313079
1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethanone
CID 8540280
3-amino-1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119270347
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]propan-1-one
CID 17395602
4-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 55682484

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]phthalazin-1-one?
The IUPAC name of 4-methyl-2-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]phthalazin-1-one (CID 29416493) is 4-methyl-2-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]phthalazin-1-one.
What is the SMILES notation for 4-methyl-2-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]phthalazin-1-one?
The canonical SMILES for 4-methyl-2-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]phthalazin-1-one is Cc1nn(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c(=O)c2ccccc12.
What is the InChIKey of 4-methyl-2-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]phthalazin-1-one?
The InChIKey is GTYJDSLQXWOLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4S/c1-18-22-8-4-5-9-23(22)25(31)29(26-18)17-24(30)27-12-14-28(15-13-27)34(32,33)21-11-10-19-6-2-3-7-20(19)16-21/h4-5,8-11,16H,2-3,6-7,12-15,17H2,1H3.
What are the key properties of 4-methyl-2-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]phthalazin-1-one?
4-methyl-2-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]phthalazin-1-one has a molecular weight of 480.59 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]phthalazin-1-one is sourced from PubChem (CID 29416493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).