N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide

C21H18N4O5S — CID 2483251

IUPACN-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)c2ccccc2c1=O
InChIInChI=1S/C21H18N4O5S/c1-25-21(27)18-7-3-2-6-17(18)19(24-25)20(26)23-14-8-10-16(11-9-14)31(28,29)22-13-15-5-4-12-30-15/h2-12,22H,13H2,1H3,(H,23,26)
InChIKeyLBNGSYTWRKCINA-UHFFFAOYSA-N
MW438.47 g/mol
LogP2.26
Rot. Bonds6

About N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide

N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 2483251) has the molecular formula C21H18N4O5S and a molecular weight of 438.47 g/mol. Its IUPAC name is N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
PubChem CID2483251
Molecular FormulaC21H18N4O5S
Molecular Weight438.47 g/mol
Exact Mass438.10
IUPAC NameN-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)c2ccccc2c1=O
InChIInChI=1S/C21H18N4O5S/c1-25-21(27)18-7-3-2-6-17(18)19(24-25)20(26)23-14-8-10-16(11-9-14)31(28,29)22-13-15-5-4-12-30-15/h2-12,22H,13H2,1H3,(H,23,26)
InChIKeyLBNGSYTWRKCINA-UHFFFAOYSA-N
XLogP2.26
TPSA123.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.47
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(furan-2-ylmethyl)-2-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-2-oxoacetamide
CID 4854734
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 17108370
N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9450575
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 43911419
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 9203705
N-(4-chlorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 2687824
N-[(2S)-4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9141827
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 17430765
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 108806522
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 2422470
[4-(furan-2-ylmethylsulfamoyl)phenyl]thiourea
CID 169358880
3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propan-2-yloxybenzamide
CID 17170986

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide (CID 2483251) is N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide is Cn1nc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)c2ccccc2c1=O.
What is the InChIKey of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is LBNGSYTWRKCINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O5S/c1-25-21(27)18-7-3-2-6-17(18)19(24-25)20(26)23-14-8-10-16(11-9-14)31(28,29)22-13-15-5-4-12-30-15/h2-12,22H,13H2,1H3,(H,23,26).
What are the key properties of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide?
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 438.47 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 2483251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).