N-cyclopropyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(thiophen-2-ylmethyl)acetamide

C19H19N3O2S — CID 37483928

IUPACN-cyclopropyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1nn(CC(=O)N(Cc2cccs2)C2CC2)c(=O)c2ccccc12
InChIInChI=1S/C19H19N3O2S/c1-13-16-6-2-3-7-17(16)19(24)22(20-13)12-18(23)21(14-8-9-14)11-15-5-4-10-25-15/h2-7,10,14H,8-9,11-12H2,1H3
InChIKeyCSSORRNSLKLVHO-UHFFFAOYSA-N
MW353.45 g/mol
LogP2.96
Rot. Bonds5

About N-cyclopropyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(thiophen-2-ylmethyl)acetamide

N-cyclopropyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 37483928) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID37483928
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-cyclopropyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1nn(CC(=O)N(Cc2cccs2)C2CC2)c(=O)c2ccccc12
InChIInChI=1S/C19H19N3O2S/c1-13-16-6-2-3-7-17(16)19(24)22(20-13)12-18(23)21(14-8-9-14)11-15-5-4-10-25-15/h2-7,10,14H,8-9,11-12H2,1H3
InChIKeyCSSORRNSLKLVHO-UHFFFAOYSA-N
XLogP2.96
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(oxolan-3-ylmethyl)acetamide
CID 51080983
N-cyclopropyl-2-(9-oxoacridin-10-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 25345728
N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 70711422
2-(benzimidazol-1-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide
CID 91641807
N-butyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 70782852
N-cyclopropyl-2-(2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 86985290
4-methyl-2-(2-oxobutyl)phthalazin-1-one
CID 70794390
4-methyl-2-(2-oxopropyl)phthalazin-1-one
CID 58973560
N-cyclopropyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 42953421
N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 51091584
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 35701227
N-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 37484139

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-cyclopropyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 37483928) is N-cyclopropyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(thiophen-2-ylmethyl)acetamide is Cc1nn(CC(=O)N(Cc2cccs2)C2CC2)c(=O)c2ccccc12.
What is the InChIKey of N-cyclopropyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is CSSORRNSLKLVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-13-16-6-2-3-7-17(16)19(24)22(20-13)12-18(23)21(14-8-9-14)11-15-5-4-10-25-15/h2-7,10,14H,8-9,11-12H2,1H3.
What are the key properties of N-cyclopropyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(thiophen-2-ylmethyl)acetamide?
N-cyclopropyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 353.45 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 37483928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).