N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-oxo-3-propylphthalazine-1-carboxamide

C18H23N3O4S — CID 9441718

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-oxo-3-propylphthalazine-1-carboxamide
SMILESCCCn1nc(C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)c2ccccc2c1=O
InChIInChI=1S/C18H23N3O4S/c1-3-10-21-17(22)15-8-6-5-7-14(15)16(19-21)18(23)20(4-2)13-9-11-26(24,25)12-13/h5-8,13H,3-4,9-12H2,1-2H3/t13-/m1/s1
InChIKeyQMHKOZFFENNQIG-CYBMUJFWSA-N
MW377.47 g/mol
LogP1.46
Rot. Bonds5

About N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-oxo-3-propylphthalazine-1-carboxamide

N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-oxo-3-propylphthalazine-1-carboxamide (PubChem CID 9441718) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-oxo-3-propylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-oxo-3-propylphthalazine-1-carboxamide
PubChem CID9441718
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-oxo-3-propylphthalazine-1-carboxamide
SMILESCCCn1nc(C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)c2ccccc2c1=O
InChIInChI=1S/C18H23N3O4S/c1-3-10-21-17(22)15-8-6-5-7-14(15)16(19-21)18(23)20(4-2)13-9-11-26(24,25)12-13/h5-8,13H,3-4,9-12H2,1-2H3/t13-/m1/s1
InChIKeyQMHKOZFFENNQIG-CYBMUJFWSA-N
XLogP1.46
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 33092006
3-[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 3937702
N-(1,1-dioxothiolan-3-yl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 17409229
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methylquinoxaline-2-carboxamide
CID 110853820
N-(1,1-dioxothiolan-3-yl)-N-ethyl-1,2-dimethylindole-3-carboxamide
CID 110762572
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329765
N-cyclopropyl-N-(4-methylcyclohexyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 55594846
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 134041268
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 7628299
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-5-methyl-2-phenyl-1H-imidazole-4-carboxamide
CID 96574310
3,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide
CID 60716770
N,N-dimethyl-4-oxo-3-pentylphthalazine-1-carboxamide
CID 46652418

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-oxo-3-propylphthalazine-1-carboxamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-oxo-3-propylphthalazine-1-carboxamide (CID 9441718) is N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-oxo-3-propylphthalazine-1-carboxamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-oxo-3-propylphthalazine-1-carboxamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-oxo-3-propylphthalazine-1-carboxamide is CCCn1nc(C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)c2ccccc2c1=O.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-oxo-3-propylphthalazine-1-carboxamide?
The InChIKey is QMHKOZFFENNQIG-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-3-10-21-17(22)15-8-6-5-7-14(15)16(19-21)18(23)20(4-2)13-9-11-26(24,25)12-13/h5-8,13H,3-4,9-12H2,1-2H3/t13-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-oxo-3-propylphthalazine-1-carboxamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-oxo-3-propylphthalazine-1-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-oxo-3-propylphthalazine-1-carboxamide is sourced from PubChem (CID 9441718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).