N-(4-methylphenyl)-2-[methyl-[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]amino]acetamide

C26H24N4O2S — CID 6409351

IUPACN-(4-methylphenyl)-2-[methyl-[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CSc2nnc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C26H24N4O2S/c1-18-12-14-20(15-13-18)27-23(31)16-30(2)24(32)17-33-26-22-11-7-6-10-21(22)25(28-29-26)19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3,(H,27,31)
InChIKeyPYMYVMPUAHNXMV-UHFFFAOYSA-N
MW456.57 g/mol
LogP4.79
Rot. Bonds7

About N-(4-methylphenyl)-2-[methyl-[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]amino]acetamide

N-(4-methylphenyl)-2-[methyl-[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]amino]acetamide (PubChem CID 6409351) has the molecular formula C26H24N4O2S and a molecular weight of 456.57 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[methyl-[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[methyl-[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]amino]acetamide
PubChem CID6409351
Molecular FormulaC26H24N4O2S
Molecular Weight456.57 g/mol
Exact Mass456.16
IUPAC NameN-(4-methylphenyl)-2-[methyl-[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CSc2nnc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C26H24N4O2S/c1-18-12-14-20(15-13-18)27-23(31)16-30(2)24(32)17-33-26-22-11-7-6-10-21(22)25(28-29-26)19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3,(H,27,31)
InChIKeyPYMYVMPUAHNXMV-UHFFFAOYSA-N
XLogP4.79
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylacetamide
CID 7580579
N-tert-butyl-2-[[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]-methylamino]acetamide
CID 34667199
2-[4-(4-ethoxyphenyl)phthalazin-1-yl]sulfanyl-N-phenylacetamide
CID 2939528
N-methyl-2-(4-phenylphthalazin-1-yl)sulfanylacetamide
CID 7580453
2-[methyl-[2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide
CID 2588989
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(4-phenylphthalazin-1-yl)sulfanylacetamide
CID 17446702
2-[[2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 112781972
2-[[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8723217
N-(4-fluorophenyl)-2-[methyl-[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]acetamide
CID 4880236
N-(4-methylphenyl)-2-[methyl-[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide
CID 2504906
2-[[2-[[5-(2-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 112784153
2-(4-phenylphthalazin-1-yl)sulfanyl-N-[(2R)-2-phenylpropyl]acetamide
CID 7580429

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[methyl-[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]amino]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[methyl-[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]amino]acetamide (CID 6409351) is N-(4-methylphenyl)-2-[methyl-[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]amino]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[methyl-[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]amino]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[methyl-[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]amino]acetamide is Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnc(-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[methyl-[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]amino]acetamide?
The InChIKey is PYMYVMPUAHNXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2S/c1-18-12-14-20(15-13-18)27-23(31)16-30(2)24(32)17-33-26-22-11-7-6-10-21(22)25(28-29-26)19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3,(H,27,31).
What are the key properties of N-(4-methylphenyl)-2-[methyl-[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]amino]acetamide?
N-(4-methylphenyl)-2-[methyl-[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]amino]acetamide has a molecular weight of 456.57 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[methyl-[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]amino]acetamide is sourced from PubChem (CID 6409351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).