3-(2-methylpropyl)-4-oxo-N-[3-(sulfamoylamino)phenyl]phthalazine-1-carboxamide

C19H21N5O4S — CID 55551620

IUPAC3-(2-methylpropyl)-4-oxo-N-[3-(sulfamoylamino)phenyl]phthalazine-1-carboxamide
SMILESCC(C)Cn1nc(C(=O)Nc2cccc(NS(N)(=O)=O)c2)c2ccccc2c1=O
InChIInChI=1S/C19H21N5O4S/c1-12(2)11-24-19(26)16-9-4-3-8-15(16)17(22-24)18(25)21-13-6-5-7-14(10-13)23-29(20,27)28/h3-10,12,23H,11H2,1-2H3,(H,21,25)(H2,20,27,28)
InChIKeyNTIWCIFDLUMBAM-UHFFFAOYSA-N
MW415.48 g/mol
LogP1.92
Rot. Bonds6

About 3-(2-methylpropyl)-4-oxo-N-[3-(sulfamoylamino)phenyl]phthalazine-1-carboxamide

3-(2-methylpropyl)-4-oxo-N-[3-(sulfamoylamino)phenyl]phthalazine-1-carboxamide (PubChem CID 55551620) has the molecular formula C19H21N5O4S and a molecular weight of 415.48 g/mol. Its IUPAC name is 3-(2-methylpropyl)-4-oxo-N-[3-(sulfamoylamino)phenyl]phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-(2-methylpropyl)-4-oxo-N-[3-(sulfamoylamino)phenyl]phthalazine-1-carboxamide
PubChem CID55551620
Molecular FormulaC19H21N5O4S
Molecular Weight415.48 g/mol
Exact Mass415.13
IUPAC Name3-(2-methylpropyl)-4-oxo-N-[3-(sulfamoylamino)phenyl]phthalazine-1-carboxamide
SMILESCC(C)Cn1nc(C(=O)Nc2cccc(NS(N)(=O)=O)c2)c2ccccc2c1=O
InChIInChI=1S/C19H21N5O4S/c1-12(2)11-24-19(26)16-9-4-3-8-15(16)17(22-24)18(25)21-13-6-5-7-14(10-13)23-29(20,27)28/h3-10,12,23H,11H2,1-2H3,(H,21,25)(H2,20,27,28)
InChIKeyNTIWCIFDLUMBAM-UHFFFAOYSA-N
XLogP1.92
TPSA136.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 3944118
N-(3,5-difluorophenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 134061493
3-(2-methylpropyl)-4-oxo-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]phthalazine-1-carboxamide
CID 55338173
3-(2-methylpropyl)-4-oxo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]phthalazine-1-carboxamide
CID 49035047
3-(2-methylpropyl)-4-oxo-N-(4-phenylphenyl)phthalazine-1-carboxamide
CID 7925968
N-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 51159012
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 4815755
3-(2-methylpropyl)-4-oxo-N-(4-propylphenyl)phthalazine-1-carboxamide
CID 9293948
N-[4-[(2R)-butan-2-yl]phenyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 7935649
ethyl 4-[[3-(2-methylpropyl)-4-oxophthalazine-1-carbonyl]amino]benzoate
CID 7926438
N-(2-acetylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 51148476
N-(4-ethoxyphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 4815668

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-4-oxo-N-[3-(sulfamoylamino)phenyl]phthalazine-1-carboxamide?
The IUPAC name of 3-(2-methylpropyl)-4-oxo-N-[3-(sulfamoylamino)phenyl]phthalazine-1-carboxamide (CID 55551620) is 3-(2-methylpropyl)-4-oxo-N-[3-(sulfamoylamino)phenyl]phthalazine-1-carboxamide.
What is the SMILES notation for 3-(2-methylpropyl)-4-oxo-N-[3-(sulfamoylamino)phenyl]phthalazine-1-carboxamide?
The canonical SMILES for 3-(2-methylpropyl)-4-oxo-N-[3-(sulfamoylamino)phenyl]phthalazine-1-carboxamide is CC(C)Cn1nc(C(=O)Nc2cccc(NS(N)(=O)=O)c2)c2ccccc2c1=O.
What is the InChIKey of 3-(2-methylpropyl)-4-oxo-N-[3-(sulfamoylamino)phenyl]phthalazine-1-carboxamide?
The InChIKey is NTIWCIFDLUMBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4S/c1-12(2)11-24-19(26)16-9-4-3-8-15(16)17(22-24)18(25)21-13-6-5-7-14(10-13)23-29(20,27)28/h3-10,12,23H,11H2,1-2H3,(H,21,25)(H2,20,27,28).
What are the key properties of 3-(2-methylpropyl)-4-oxo-N-[3-(sulfamoylamino)phenyl]phthalazine-1-carboxamide?
3-(2-methylpropyl)-4-oxo-N-[3-(sulfamoylamino)phenyl]phthalazine-1-carboxamide has a molecular weight of 415.48 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-4-oxo-N-[3-(sulfamoylamino)phenyl]phthalazine-1-carboxamide is sourced from PubChem (CID 55551620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).