2-(4-phenylphthalazin-1-yl)sulfanyl-N-[(2R)-2-phenylpropyl]acetamide

C25H23N3OS — CID 7580429

IUPAC2-(4-phenylphthalazin-1-yl)sulfanyl-N-[(2R)-2-phenylpropyl]acetamide
SMILESC[C@@H](CNC(=O)CSc1nnc(-c2ccccc2)c2ccccc12)c1ccccc1
InChIInChI=1S/C25H23N3OS/c1-18(19-10-4-2-5-11-19)16-26-23(29)17-30-25-22-15-9-8-14-21(22)24(27-28-25)20-12-6-3-7-13-20/h2-15,18H,16-17H2,1H3,(H,26,29)/t18-/m0/s1
InChIKeyMOZNRWAJVJZGCA-SFHVURJKSA-N
MW413.55 g/mol
LogP5.31
Rot. Bonds7

About 2-(4-phenylphthalazin-1-yl)sulfanyl-N-[(2R)-2-phenylpropyl]acetamide

2-(4-phenylphthalazin-1-yl)sulfanyl-N-[(2R)-2-phenylpropyl]acetamide (PubChem CID 7580429) has the molecular formula C25H23N3OS and a molecular weight of 413.55 g/mol. Its IUPAC name is 2-(4-phenylphthalazin-1-yl)sulfanyl-N-[(2R)-2-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(4-phenylphthalazin-1-yl)sulfanyl-N-[(2R)-2-phenylpropyl]acetamide
PubChem CID7580429
Molecular FormulaC25H23N3OS
Molecular Weight413.55 g/mol
Exact Mass413.16
IUPAC Name2-(4-phenylphthalazin-1-yl)sulfanyl-N-[(2R)-2-phenylpropyl]acetamide
SMILESC[C@@H](CNC(=O)CSc1nnc(-c2ccccc2)c2ccccc12)c1ccccc1
InChIInChI=1S/C25H23N3OS/c1-18(19-10-4-2-5-11-19)16-26-23(29)17-30-25-22-15-9-8-14-21(22)24(27-28-25)20-12-6-3-7-13-20/h2-15,18H,16-17H2,1H3,(H,26,29)/t18-/m0/s1
InChIKeyMOZNRWAJVJZGCA-SFHVURJKSA-N
XLogP5.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.55
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(4-phenylphthalazin-1-yl)sulfanylacetamide
CID 7580453
N-(3,5-dimethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylacetamide
CID 7580579
2-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-N-(2-phenylpropyl)acetamide
CID 20920643
2-(1-hydroxypropan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide
CID 112695519
2-(2-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 9302261
2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373
2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-prop-2-enylacetamide
CID 6412092
2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2R)-2-phenylpropyl]acetamide
CID 9360621
2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 6415024
2-(2,6-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 7466914
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-2-phenylpropyl]acetamide
CID 7977632
(2S)-N-(2-methoxyethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
CID 8740845

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphthalazin-1-yl)sulfanyl-N-[(2R)-2-phenylpropyl]acetamide?
The IUPAC name of 2-(4-phenylphthalazin-1-yl)sulfanyl-N-[(2R)-2-phenylpropyl]acetamide (CID 7580429) is 2-(4-phenylphthalazin-1-yl)sulfanyl-N-[(2R)-2-phenylpropyl]acetamide.
What is the SMILES notation for 2-(4-phenylphthalazin-1-yl)sulfanyl-N-[(2R)-2-phenylpropyl]acetamide?
The canonical SMILES for 2-(4-phenylphthalazin-1-yl)sulfanyl-N-[(2R)-2-phenylpropyl]acetamide is C[C@@H](CNC(=O)CSc1nnc(-c2ccccc2)c2ccccc12)c1ccccc1.
What is the InChIKey of 2-(4-phenylphthalazin-1-yl)sulfanyl-N-[(2R)-2-phenylpropyl]acetamide?
The InChIKey is MOZNRWAJVJZGCA-SFHVURJKSA-N. The full InChI is InChI=1S/C25H23N3OS/c1-18(19-10-4-2-5-11-19)16-26-23(29)17-30-25-22-15-9-8-14-21(22)24(27-28-25)20-12-6-3-7-13-20/h2-15,18H,16-17H2,1H3,(H,26,29)/t18-/m0/s1.
What are the key properties of 2-(4-phenylphthalazin-1-yl)sulfanyl-N-[(2R)-2-phenylpropyl]acetamide?
2-(4-phenylphthalazin-1-yl)sulfanyl-N-[(2R)-2-phenylpropyl]acetamide has a molecular weight of 413.55 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphthalazin-1-yl)sulfanyl-N-[(2R)-2-phenylpropyl]acetamide is sourced from PubChem (CID 7580429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).