N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)thiophene-2-carboxamide

C13H9N3O3S — CID 110734493

IUPACN-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc2c(=O)[nH][nH]c(=O)c2c1)c1cccs1
InChIInChI=1S/C13H9N3O3S/c17-11-8-4-3-7(6-9(8)12(18)16-15-11)14-13(19)10-2-1-5-20-10/h1-6H,(H,14,19)(H,15,17)(H,16,18)
InChIKeyNXKRNPJBBPSWHR-UHFFFAOYSA-N
MW287.30 g/mol
LogP1.53
Rot. Bonds2

About N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)thiophene-2-carboxamide

N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)thiophene-2-carboxamide (PubChem CID 110734493) has the molecular formula C13H9N3O3S and a molecular weight of 287.30 g/mol. Its IUPAC name is N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)thiophene-2-carboxamide
PubChem CID110734493
Molecular FormulaC13H9N3O3S
Molecular Weight287.30 g/mol
Exact Mass287.04
IUPAC NameN-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc2c(=O)[nH][nH]c(=O)c2c1)c1cccs1
InChIInChI=1S/C13H9N3O3S/c17-11-8-4-3-7(6-9(8)12(18)16-15-11)14-13(19)10-2-1-5-20-10/h1-6H,(H,14,19)(H,15,17)(H,16,18)
InChIKeyNXKRNPJBBPSWHR-UHFFFAOYSA-N
XLogP1.53
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-2H-indazol-5-yl)thiophene-2-carboxamide
CID 123632210
N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 838783
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-(3-hydroxy-4-methylphenyl)thiophene-2-carboxamide
CID 64794383
N-(4-sulfanylphenyl)thiophene-2-carboxamide
CID 27126639
N-(4-bromo-3-methylphenyl)thiophene-2-carboxamide
CID 743467
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-carboxamide
CID 14476448
N-(3,5-difluorophenyl)thiophene-2-carboxamide
CID 2986846
N-(3,4-dinitrophenyl)thiophene-2-carboxamide
CID 86673965
N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]thiophene-2-carboxamide
CID 70806948
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 64792647

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)thiophene-2-carboxamide (CID 110734493) is N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)thiophene-2-carboxamide is O=C(Nc1ccc2c(=O)[nH][nH]c(=O)c2c1)c1cccs1.
What is the InChIKey of N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)thiophene-2-carboxamide?
The InChIKey is NXKRNPJBBPSWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O3S/c17-11-8-4-3-7(6-9(8)12(18)16-15-11)14-13(19)10-2-1-5-20-10/h1-6H,(H,14,19)(H,15,17)(H,16,18).
What are the key properties of N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)thiophene-2-carboxamide?
N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)thiophene-2-carboxamide has a molecular weight of 287.30 g/mol, XLogP of 1.53, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)thiophene-2-carboxamide is sourced from PubChem (CID 110734493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).