N-(2-methylpropyl)-2-phthalazin-1-ylsulfanylacetamide

C14H17N3OS — CID 47154239

IUPACN-(2-methylpropyl)-2-phthalazin-1-ylsulfanylacetamide
SMILESCC(C)CNC(=O)CSc1nncc2ccccc12
InChIInChI=1S/C14H17N3OS/c1-10(2)7-15-13(18)9-19-14-12-6-4-3-5-11(12)8-16-17-14/h3-6,8,10H,7,9H2,1-2H3,(H,15,18)
InChIKeyBKPRDJDAVQWDDM-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.49
Rot. Bonds5

About N-(2-methylpropyl)-2-phthalazin-1-ylsulfanylacetamide

N-(2-methylpropyl)-2-phthalazin-1-ylsulfanylacetamide (PubChem CID 47154239) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-phthalazin-1-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-phthalazin-1-ylsulfanylacetamide
PubChem CID47154239
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-(2-methylpropyl)-2-phthalazin-1-ylsulfanylacetamide
SMILESCC(C)CNC(=O)CSc1nncc2ccccc12
InChIInChI=1S/C14H17N3OS/c1-10(2)7-15-13(18)9-19-14-12-6-4-3-5-11(12)8-16-17-14/h3-6,8,10H,7,9H2,1-2H3,(H,15,18)
InChIKeyBKPRDJDAVQWDDM-UHFFFAOYSA-N
XLogP2.49
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-hydroxypropyl]-2-phthalazin-1-ylsulfanylacetamide
CID 40543272
N-[(1S)-1-phenylethyl]-2-phthalazin-1-ylsulfanylacetamide
CID 42427689
N-benzyl-2-phthalazin-1-ylsulfanylacetamide
CID 6415882
N-butyl-2-phthalazin-1-ylsulfanylacetamide
CID 47154236
N-[3-(dimethylamino)propyl]-2-phthalazin-1-ylsulfanylacetamide
CID 6411504
N-(2-methyl-6-propan-2-ylphenyl)-2-phthalazin-1-ylsulfanylacetamide
CID 134025531
N-cyclopentyl-2-phthalazin-1-ylsulfanylacetamide
CID 47148421
N-(3,4-dichlorophenyl)-2-phthalazin-1-ylsulfanylacetamide
CID 134025550
N-(2-chloro-4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide
CID 134025528
3-phthalazin-1-ylsulfanylpropane-1,2-diol
CID 79682620
N-(2-methylpropyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
CID 134058118
2-phthalazin-1-ylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide
CID 71898581

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-phthalazin-1-ylsulfanylacetamide?
The IUPAC name of N-(2-methylpropyl)-2-phthalazin-1-ylsulfanylacetamide (CID 47154239) is N-(2-methylpropyl)-2-phthalazin-1-ylsulfanylacetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-phthalazin-1-ylsulfanylacetamide?
The canonical SMILES for N-(2-methylpropyl)-2-phthalazin-1-ylsulfanylacetamide is CC(C)CNC(=O)CSc1nncc2ccccc12.
What is the InChIKey of N-(2-methylpropyl)-2-phthalazin-1-ylsulfanylacetamide?
The InChIKey is BKPRDJDAVQWDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10(2)7-15-13(18)9-19-14-12-6-4-3-5-11(12)8-16-17-14/h3-6,8,10H,7,9H2,1-2H3,(H,15,18).
What are the key properties of N-(2-methylpropyl)-2-phthalazin-1-ylsulfanylacetamide?
N-(2-methylpropyl)-2-phthalazin-1-ylsulfanylacetamide has a molecular weight of 275.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-phthalazin-1-ylsulfanylacetamide is sourced from PubChem (CID 47154239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).