N-[(1S)-1-phenylethyl]-2-phthalazin-1-ylsulfanylacetamide

C18H17N3OS — CID 42427689

IUPACN-[(1S)-1-phenylethyl]-2-phthalazin-1-ylsulfanylacetamide
SMILESC[C@H](NC(=O)CSc1nncc2ccccc12)c1ccccc1
InChIInChI=1S/C18H17N3OS/c1-13(14-7-3-2-4-8-14)20-17(22)12-23-18-16-10-6-5-9-15(16)11-19-21-18/h2-11,13H,12H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyBIFCKOIMDPKMKF-ZDUSSCGKSA-N
MW323.42 g/mol
LogP3.60
Rot. Bonds5

About N-[(1S)-1-phenylethyl]-2-phthalazin-1-ylsulfanylacetamide

N-[(1S)-1-phenylethyl]-2-phthalazin-1-ylsulfanylacetamide (PubChem CID 42427689) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-2-phthalazin-1-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-2-phthalazin-1-ylsulfanylacetamide
PubChem CID42427689
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC NameN-[(1S)-1-phenylethyl]-2-phthalazin-1-ylsulfanylacetamide
SMILESC[C@H](NC(=O)CSc1nncc2ccccc12)c1ccccc1
InChIInChI=1S/C18H17N3OS/c1-13(14-7-3-2-4-8-14)20-17(22)12-23-18-16-10-6-5-9-15(16)11-19-21-18/h2-11,13H,12H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyBIFCKOIMDPKMKF-ZDUSSCGKSA-N
XLogP3.60
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-2-phthalazin-1-ylsulfanylacetamide
CID 47154239
N-[(2R)-2-hydroxypropyl]-2-phthalazin-1-ylsulfanylacetamide
CID 40543272
N-benzyl-2-phthalazin-1-ylsulfanylacetamide
CID 6415882
N-butyl-2-phthalazin-1-ylsulfanylacetamide
CID 47154236
2-[(8-fluoro-5H-pyridazino[4,5-b]indol-4-yl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 39974984
N-(2-methyl-6-propan-2-ylphenyl)-2-phthalazin-1-ylsulfanylacetamide
CID 134025531
N-(3,4-dichlorophenyl)-2-phthalazin-1-ylsulfanylacetamide
CID 134025550
2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 8023932
N-[(1R)-1-phenylethyl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
CID 6407759
N-cyclopentyl-2-phthalazin-1-ylsulfanylacetamide
CID 47148421
N-[3-(dimethylamino)propyl]-2-phthalazin-1-ylsulfanylacetamide
CID 6411504
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-2-phthalazin-1-ylsulfanylacetamide?
The IUPAC name of N-[(1S)-1-phenylethyl]-2-phthalazin-1-ylsulfanylacetamide (CID 42427689) is N-[(1S)-1-phenylethyl]-2-phthalazin-1-ylsulfanylacetamide.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-2-phthalazin-1-ylsulfanylacetamide?
The canonical SMILES for N-[(1S)-1-phenylethyl]-2-phthalazin-1-ylsulfanylacetamide is C[C@H](NC(=O)CSc1nncc2ccccc12)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-2-phthalazin-1-ylsulfanylacetamide?
The InChIKey is BIFCKOIMDPKMKF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-13(14-7-3-2-4-8-14)20-17(22)12-23-18-16-10-6-5-9-15(16)11-19-21-18/h2-11,13H,12H2,1H3,(H,20,22)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-2-phthalazin-1-ylsulfanylacetamide?
N-[(1S)-1-phenylethyl]-2-phthalazin-1-ylsulfanylacetamide has a molecular weight of 323.42 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-2-phthalazin-1-ylsulfanylacetamide is sourced from PubChem (CID 42427689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).