N-(2-methylphenyl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide

C21H22N4O2S — CID 22425713

IUPACN-(2-methylphenyl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide
SMILESCc1ccccc1NC(=O)CSc1nnc(N2CCOCC2)c2ccccc12
InChIInChI=1S/C21H22N4O2S/c1-15-6-2-5-9-18(15)22-19(26)14-28-21-17-8-4-3-7-16(17)20(23-24-21)25-10-12-27-13-11-25/h2-9H,10-14H2,1H3,(H,22,26)
InChIKeyVUYHXIVUGOBJMV-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.51
Rot. Bonds5

About N-(2-methylphenyl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide

N-(2-methylphenyl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide (PubChem CID 22425713) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide
PubChem CID22425713
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC NameN-(2-methylphenyl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide
SMILESCc1ccccc1NC(=O)CSc1nnc(N2CCOCC2)c2ccccc12
InChIInChI=1S/C21H22N4O2S/c1-15-6-2-5-9-18(15)22-19(26)14-28-21-17-8-4-3-7-16(17)20(23-24-21)25-10-12-27-13-11-25/h2-9H,10-14H2,1H3,(H,22,26)
InChIKeyVUYHXIVUGOBJMV-UHFFFAOYSA-N
XLogP3.51
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide
CID 46360327
N-(2,3-dimethylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 46672702
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983
N-(2-methylphenyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196384
N-(2-morpholin-4-ylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide
CID 1442832
N-(2,4-dimethylphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide
CID 6401674
2-[[4-ethyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 2994135
N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 41270501
N-(2-chlorophenyl)-2-[[4-(2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 27753243
ethyl 4-morpholin-4-ylphthalazine-1-carboxylate
CID 42878220
2-[2-(2-methylanilino)-2-oxoethyl]sulfanylquinazoline-4-carboxylic acid
CID 44723920
N-(2-methylphenyl)-2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetamide
CID 8002047

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide?
The IUPAC name of N-(2-methylphenyl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide (CID 22425713) is N-(2-methylphenyl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide?
The canonical SMILES for N-(2-methylphenyl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide is Cc1ccccc1NC(=O)CSc1nnc(N2CCOCC2)c2ccccc12.
What is the InChIKey of N-(2-methylphenyl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide?
The InChIKey is VUYHXIVUGOBJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-15-6-2-5-9-18(15)22-19(26)14-28-21-17-8-4-3-7-16(17)20(23-24-21)25-10-12-27-13-11-25/h2-9H,10-14H2,1H3,(H,22,26).
What are the key properties of N-(2-methylphenyl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide?
N-(2-methylphenyl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide has a molecular weight of 394.50 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide is sourced from PubChem (CID 22425713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).