N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide

C18H20N4O2S — CID 2709525

IUPACN-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCN(C)[C@H](CNC(=O)c1nn(C)c(=O)c2ccccc12)c1cccs1
InChIInChI=1S/C18H20N4O2S/c1-21(2)14(15-9-6-10-25-15)11-19-17(23)16-12-7-4-5-8-13(12)18(24)22(3)20-16/h4-10,14H,11H2,1-3H3,(H,19,23)/t14-/m1/s1
InChIKeyWCIGDGOEHIJSLX-CQSZACIVSA-N
MW356.45 g/mol
LogP2.03
Rot. Bonds5

About N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide

N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 2709525) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide
PubChem CID2709525
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCN(C)[C@H](CNC(=O)c1nn(C)c(=O)c2ccccc12)c1cccs1
InChIInChI=1S/C18H20N4O2S/c1-21(2)14(15-9-6-10-25-15)11-19-17(23)16-12-7-4-5-8-13(12)18(24)22(3)20-16/h4-10,14H,11H2,1-3H3,(H,19,23)/t14-/m1/s1
InChIKeyWCIGDGOEHIJSLX-CQSZACIVSA-N
XLogP2.03
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 8796334
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 55778041
N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 8795909
3-methyl-4-oxo-N-(2-phenylpropyl)phthalazine-1-carboxamide
CID 17400170
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30531854
1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]pyrazole-3-carboxamide
CID 49372359
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 94480375
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 94480374
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-fluorobenzamide
CID 18161749
2-bromo-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 8504392
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide (CID 2709525) is N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide is CN(C)[C@H](CNC(=O)c1nn(C)c(=O)c2ccccc12)c1cccs1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is WCIGDGOEHIJSLX-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-21(2)14(15-9-6-10-25-15)11-19-17(23)16-12-7-4-5-8-13(12)18(24)22(3)20-16/h4-10,14H,11H2,1-3H3,(H,19,23)/t14-/m1/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide?
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 2709525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).