3-ethyl-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-4-oxophthalazine-1-carboxamide

C19H20N4O5S — CID 17406671

IUPAC3-ethyl-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-4-oxophthalazine-1-carboxamide
SMILESCCn1nc(C(=O)Nc2ccc(S(=O)(=O)N(C)OC)cc2)c2ccccc2c1=O
InChIInChI=1S/C19H20N4O5S/c1-4-23-19(25)16-8-6-5-7-15(16)17(21-23)18(24)20-13-9-11-14(12-10-13)29(26,27)22(2)28-3/h5-12H,4H2,1-3H3,(H,20,24)
InChIKeyAPRBHYONDDHFQB-UHFFFAOYSA-N
MW416.46 g/mol
LogP1.85
Rot. Bonds6

About 3-ethyl-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-4-oxophthalazine-1-carboxamide

3-ethyl-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-4-oxophthalazine-1-carboxamide (PubChem CID 17406671) has the molecular formula C19H20N4O5S and a molecular weight of 416.46 g/mol. Its IUPAC name is 3-ethyl-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-4-oxophthalazine-1-carboxamide
PubChem CID17406671
Molecular FormulaC19H20N4O5S
Molecular Weight416.46 g/mol
Exact Mass416.12
IUPAC Name3-ethyl-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-4-oxophthalazine-1-carboxamide
SMILESCCn1nc(C(=O)Nc2ccc(S(=O)(=O)N(C)OC)cc2)c2ccccc2c1=O
InChIInChI=1S/C19H20N4O5S/c1-4-23-19(25)16-8-6-5-7-15(16)17(21-23)18(24)20-13-9-11-14(12-10-13)29(26,27)22(2)28-3/h5-12H,4H2,1-3H3,(H,20,24)
InChIKeyAPRBHYONDDHFQB-UHFFFAOYSA-N
XLogP1.85
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 55389586
3-ethyl-N-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 2540338
N-[4-(diethylsulfamoyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 17398748
ethyl (E)-3-[4-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]phenyl]prop-2-enoate
CID 27902250
N-[4-(difluoromethylsulfonyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 17404809
methyl 2-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]-2-methylpropanoate
CID 51077827
N-(3-cyclopentylsulfonylphenyl)-3-ethyl-4-oxophthalazine-1-carboxamide
CID 39209393
3-butyl-N-[4-(dimethylcarbamoyl)phenyl]-4-oxophthalazine-1-carboxamide
CID 8698562
N-(4-carbamoyl-3-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide
CID 55611056
3-ethyl-N-(2-fluorophenyl)-4-oxophthalazine-1-carboxamide
CID 4543224
N-(2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide
CID 7733216
3-butyl-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-oxophthalazine-1-carboxamide
CID 3525687

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-ethyl-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-4-oxophthalazine-1-carboxamide (CID 17406671) is 3-ethyl-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-ethyl-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-ethyl-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-4-oxophthalazine-1-carboxamide is CCn1nc(C(=O)Nc2ccc(S(=O)(=O)N(C)OC)cc2)c2ccccc2c1=O.
What is the InChIKey of 3-ethyl-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-4-oxophthalazine-1-carboxamide?
The InChIKey is APRBHYONDDHFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5S/c1-4-23-19(25)16-8-6-5-7-15(16)17(21-23)18(24)20-13-9-11-14(12-10-13)29(26,27)22(2)28-3/h5-12H,4H2,1-3H3,(H,20,24).
What are the key properties of 3-ethyl-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-4-oxophthalazine-1-carboxamide?
3-ethyl-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-4-oxophthalazine-1-carboxamide has a molecular weight of 416.46 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 17406671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).