N-[(4-oxo-1H-phthalazin-1-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

C19H19N3O2S — CID 75271313

IUPACN-[(4-oxo-1H-phthalazin-1-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C1N=NC(CNC(=O)C2(c3cccs3)CCCC2)c2ccccc21
InChIInChI=1S/C19H19N3O2S/c23-17-14-7-2-1-6-13(14)15(21-22-17)12-20-18(24)19(9-3-4-10-19)16-8-5-11-25-16/h1-2,5-8,11,15H,3-4,9-10,12H2,(H,20,24)
InChIKeyLPCNEZFFPHZSMB-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.02
Rot. Bonds4

About N-[(4-oxo-1H-phthalazin-1-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

N-[(4-oxo-1H-phthalazin-1-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 75271313) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[(4-oxo-1H-phthalazin-1-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-oxo-1H-phthalazin-1-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID75271313
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-[(4-oxo-1H-phthalazin-1-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C1N=NC(CNC(=O)C2(c3cccs3)CCCC2)c2ccccc21
InChIInChI=1S/C19H19N3O2S/c23-17-14-7-2-1-6-13(14)15(21-22-17)12-20-18(24)19(9-3-4-10-19)16-8-5-11-25-16/h1-2,5-8,11,15H,3-4,9-10,12H2,(H,20,24)
InChIKeyLPCNEZFFPHZSMB-UHFFFAOYSA-N
XLogP4.02
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-oxo-1H-phthalazin-1-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[(4-oxo-1H-phthalazin-1-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 75271313) is N-[(4-oxo-1H-phthalazin-1-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(4-oxo-1H-phthalazin-1-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(4-oxo-1H-phthalazin-1-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is O=C1N=NC(CNC(=O)C2(c3cccs3)CCCC2)c2ccccc21.
What is the InChIKey of N-[(4-oxo-1H-phthalazin-1-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is LPCNEZFFPHZSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c23-17-14-7-2-1-6-13(14)15(21-22-17)12-20-18(24)19(9-3-4-10-19)16-8-5-11-25-16/h1-2,5-8,11,15H,3-4,9-10,12H2,(H,20,24).
What are the key properties of N-[(4-oxo-1H-phthalazin-1-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-[(4-oxo-1H-phthalazin-1-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-oxo-1H-phthalazin-1-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 75271313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).