N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

C15H17N3O4S — CID 27710609

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc2c1=O
InChIInChI=1S/C15H17N3O4S/c1-18-15(20)12-5-3-2-4-11(12)13(17-18)8-14(19)16-10-6-7-23(21,22)9-10/h2-5,10H,6-9H2,1H3,(H,16,19)/t10-/m1/s1
InChIKeyUPDOROKEPWKRJZ-SNVBAGLBSA-N
MW335.38 g/mol
LogP-0.22
Rot. Bonds3

About N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 27710609) has the molecular formula C15H17N3O4S and a molecular weight of 335.38 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID27710609
Molecular FormulaC15H17N3O4S
Molecular Weight335.38 g/mol
Exact Mass335.09
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc2c1=O
InChIInChI=1S/C15H17N3O4S/c1-18-15(20)12-5-3-2-4-11(12)13(17-18)8-14(19)16-10-6-7-23(21,22)9-10/h2-5,10H,6-9H2,1H3,(H,16,19)/t10-/m1/s1
InChIKeyUPDOROKEPWKRJZ-SNVBAGLBSA-N
XLogP-0.22
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide with MolForge

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Related Compounds

N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 124812329
2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylpiperazin-1-yl)acetamide
CID 9205666
N-(1,1-dioxothiolan-3-yl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 17409229
N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 40918158
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17498127
N-[(3R)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide
CID 27710322
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55949418
N-(1,1-dioxothiolan-3-yl)-3-(1-methylindol-3-yl)propanamide
CID 71702598
N-(2-cyclopentylsulfanylethyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 32542356
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 7838123
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 9360660

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 27710609) is N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is Cn1nc(CC(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc2c1=O.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is UPDOROKEPWKRJZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-18-15(20)12-5-3-2-4-11(12)13(17-18)8-14(19)16-10-6-7-23(21,22)9-10/h2-5,10H,6-9H2,1H3,(H,16,19)/t10-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 335.38 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 27710609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).