N-methyl-2-(4-phenylphthalazin-1-yl)sulfanylacetamide

C17H15N3OS — CID 7580453

IUPACN-methyl-2-(4-phenylphthalazin-1-yl)sulfanylacetamide
SMILESCNC(=O)CSc1nnc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C17H15N3OS/c1-18-15(21)11-22-17-14-10-6-5-9-13(14)16(19-20-17)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,21)
InChIKeyMRVTVYVBSCJUJT-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.13
Rot. Bonds4

About N-methyl-2-(4-phenylphthalazin-1-yl)sulfanylacetamide

N-methyl-2-(4-phenylphthalazin-1-yl)sulfanylacetamide (PubChem CID 7580453) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is N-methyl-2-(4-phenylphthalazin-1-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-methyl-2-(4-phenylphthalazin-1-yl)sulfanylacetamide
PubChem CID7580453
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC NameN-methyl-2-(4-phenylphthalazin-1-yl)sulfanylacetamide
SMILESCNC(=O)CSc1nnc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C17H15N3OS/c1-18-15(21)11-22-17-14-10-6-5-9-13(14)16(19-20-17)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,21)
InChIKeyMRVTVYVBSCJUJT-UHFFFAOYSA-N
XLogP3.13
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-phenylphthalazin-1-yl)sulfanyl-N-[(2R)-2-phenylpropyl]acetamide
CID 7580429
N-(3,5-dimethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylacetamide
CID 7580579
2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 8023932
2-[4-(4-ethoxyphenyl)phthalazin-1-yl]sulfanyl-N-phenylacetamide
CID 2939528
N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide
CID 40811560
1-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone
CID 7580384
1-(2,5-dimethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone
CID 7915597
N-(4-methylphenyl)-2-[methyl-[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]amino]acetamide
CID 6409351
N-(3,5-difluorophenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide
CID 24567628
1-(2,5-diethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone
CID 7915582
2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-prop-2-enylacetamide
CID 6412092
2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 6415024

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-phenylphthalazin-1-yl)sulfanylacetamide?
The IUPAC name of N-methyl-2-(4-phenylphthalazin-1-yl)sulfanylacetamide (CID 7580453) is N-methyl-2-(4-phenylphthalazin-1-yl)sulfanylacetamide.
What is the SMILES notation for N-methyl-2-(4-phenylphthalazin-1-yl)sulfanylacetamide?
The canonical SMILES for N-methyl-2-(4-phenylphthalazin-1-yl)sulfanylacetamide is CNC(=O)CSc1nnc(-c2ccccc2)c2ccccc12.
What is the InChIKey of N-methyl-2-(4-phenylphthalazin-1-yl)sulfanylacetamide?
The InChIKey is MRVTVYVBSCJUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-18-15(21)11-22-17-14-10-6-5-9-13(14)16(19-20-17)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,21).
What are the key properties of N-methyl-2-(4-phenylphthalazin-1-yl)sulfanylacetamide?
N-methyl-2-(4-phenylphthalazin-1-yl)sulfanylacetamide has a molecular weight of 309.39 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-phenylphthalazin-1-yl)sulfanylacetamide is sourced from PubChem (CID 7580453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).