2-phthalazin-1-ylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide

C17H18F3N3OS — CID 71898581

IUPAC2-phthalazin-1-ylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(CSc1nncc2ccccc12)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C17H18F3N3OS/c18-17(19,20)13-7-3-4-8-14(13)22-15(24)10-25-16-12-6-2-1-5-11(12)9-21-23-16/h1-2,5-6,9,13-14H,3-4,7-8,10H2,(H,22,24)
InChIKeyGLHYZCSYFDFZFI-UHFFFAOYSA-N
MW369.41 g/mol
LogP3.96
Rot. Bonds4

About 2-phthalazin-1-ylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide

2-phthalazin-1-ylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 71898581) has the molecular formula C17H18F3N3OS and a molecular weight of 369.41 g/mol. Its IUPAC name is 2-phthalazin-1-ylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-phthalazin-1-ylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID71898581
Molecular FormulaC17H18F3N3OS
Molecular Weight369.41 g/mol
Exact Mass369.11
IUPAC Name2-phthalazin-1-ylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(CSc1nncc2ccccc12)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C17H18F3N3OS/c18-17(19,20)13-7-3-4-8-14(13)22-15(24)10-25-16-12-6-2-1-5-11(12)9-21-23-16/h1-2,5-6,9,13-14H,3-4,7-8,10H2,(H,22,24)
InChIKeyGLHYZCSYFDFZFI-UHFFFAOYSA-N
XLogP3.96
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-phthalazin-1-ylsulfanylacetamide
CID 47148421
N-benzyl-2-phthalazin-1-ylsulfanylacetamide
CID 6415882
N-[[(2R)-oxolan-2-yl]methyl]-2-phthalazin-1-ylsulfanylacetamide
CID 95278113
N-(2-methylpropyl)-2-phthalazin-1-ylsulfanylacetamide
CID 47154239
N-[(2R)-2-hydroxypropyl]-2-phthalazin-1-ylsulfanylacetamide
CID 40543272
N-butyl-2-phthalazin-1-ylsulfanylacetamide
CID 47154236
2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide
CID 97018728
N-(3,4-dichlorophenyl)-2-phthalazin-1-ylsulfanylacetamide
CID 134025550
2-phenylsulfanyl-N-[(2R)-2-[(2-phenylsulfanylacetyl)amino]cyclohexyl]acetamide
CID 126728987
N-[3-(dimethylamino)propyl]-2-phthalazin-1-ylsulfanylacetamide
CID 6411504
2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7239451
N-(2-methyl-6-propan-2-ylphenyl)-2-phthalazin-1-ylsulfanylacetamide
CID 134025531

Frequently Asked Questions

What is the IUPAC name of 2-phthalazin-1-ylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-phthalazin-1-ylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide (CID 71898581) is 2-phthalazin-1-ylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-phthalazin-1-ylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-phthalazin-1-ylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide is O=C(CSc1nncc2ccccc12)NC1CCCCC1C(F)(F)F.
What is the InChIKey of 2-phthalazin-1-ylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is GLHYZCSYFDFZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3OS/c18-17(19,20)13-7-3-4-8-14(13)22-15(24)10-25-16-12-6-2-1-5-11(12)9-21-23-16/h1-2,5-6,9,13-14H,3-4,7-8,10H2,(H,22,24).
What are the key properties of 2-phthalazin-1-ylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide?
2-phthalazin-1-ylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 369.41 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phthalazin-1-ylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 71898581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).