N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]thiophene-2-carboxamide

C20H15N3O2S — CID 70806948

IUPACN-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)c1cccs1
InChIInChI=1S/C20H15N3O2S/c24-19-16-8-2-1-7-15(16)17(22-23-19)12-13-5-3-6-14(11-13)21-20(25)18-9-4-10-26-18/h1-11H,12H2,(H,21,25)(H,23,24)
InChIKeyCALNSMVHCLTMDQ-UHFFFAOYSA-N
MW361.43 g/mol
LogP3.83
Rot. Bonds4

About N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]thiophene-2-carboxamide

N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]thiophene-2-carboxamide (PubChem CID 70806948) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]thiophene-2-carboxamide
PubChem CID70806948
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC NameN-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)c1cccs1
InChIInChI=1S/C20H15N3O2S/c24-19-16-8-2-1-7-15(16)17(22-23-19)12-13-5-3-6-14(11-13)21-20(25)18-9-4-10-26-18/h1-11H,12H2,(H,21,25)(H,23,24)
InChIKeyCALNSMVHCLTMDQ-UHFFFAOYSA-N
XLogP3.83
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-oxo-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]butanamide
CID 88999580
6-fluoro-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-4H-1,3-benzodioxine-8-carboxamide
CID 70807031
3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-1,2-oxazole-4-carboxamide
CID 70867849
N-[3-(methoxymethyl)phenyl]thiophene-2-carboxamide
CID 32638339
N-[3-(naphthalene-1-carbonylamino)phenyl]thiophene-2-carboxamide
CID 1273133
4-[(3-propan-2-yloxyphenyl)methyl]-2H-phthalazin-1-one
CID 82371112
N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)thiophene-2-carboxamide
CID 110734493
N-[3-(sulfamoylmethyl)phenyl]thiophene-2-carboxamide
CID 86865208
2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 46423982
4-[[3-(2,5-dihydroxypyrrol-1-yl)phenyl]methyl]-2H-phthalazin-1-one
CID 91219912
4-[(3-acetyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one
CID 70255127
N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiophene-2-carboxamide
CID 20819526

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]thiophene-2-carboxamide (CID 70806948) is N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]thiophene-2-carboxamide is O=C(Nc1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)c1cccs1.
What is the InChIKey of N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]thiophene-2-carboxamide?
The InChIKey is CALNSMVHCLTMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S/c24-19-16-8-2-1-7-15(16)17(22-23-19)12-13-5-3-6-14(11-13)21-20(25)18-9-4-10-26-18/h1-11H,12H2,(H,21,25)(H,23,24).
What are the key properties of N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]thiophene-2-carboxamide?
N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]thiophene-2-carboxamide has a molecular weight of 361.43 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 70806948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).