N-(2-chloro-4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide

C17H14ClN3OS — CID 134025528

IUPACN-(2-chloro-4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nncc3ccccc23)c(Cl)c1
InChIInChI=1S/C17H14ClN3OS/c1-11-6-7-15(14(18)8-11)20-16(22)10-23-17-13-5-3-2-4-12(13)9-19-21-17/h2-9H,10H2,1H3,(H,20,22)
InChIKeyQYVCCRWRPPFZRE-UHFFFAOYSA-N
MW343.84 g/mol
LogP4.32
Rot. Bonds4

About N-(2-chloro-4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide

N-(2-chloro-4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide (PubChem CID 134025528) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide
PubChem CID134025528
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC NameN-(2-chloro-4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nncc3ccccc23)c(Cl)c1
InChIInChI=1S/C17H14ClN3OS/c1-11-6-7-15(14(18)8-11)20-16(22)10-23-17-13-5-3-2-4-12(13)9-19-21-17/h2-9H,10H2,1H3,(H,20,22)
InChIKeyQYVCCRWRPPFZRE-UHFFFAOYSA-N
XLogP4.32
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-2-phthalazin-1-ylsulfanylacetamide
CID 134025550
N-(2-chloro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2532400
N-(2-cyano-4-nitrophenyl)-2-phthalazin-1-ylsulfanylacetamide
CID 5071488
N-(2-methylpropyl)-2-phthalazin-1-ylsulfanylacetamide
CID 47154239
N-(2,4-dimethylphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide
CID 6401674
N-benzyl-2-phthalazin-1-ylsulfanylacetamide
CID 6415882
N-(2-chloro-4-methylphenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 2707960
N-(2-methyl-6-propan-2-ylphenyl)-2-phthalazin-1-ylsulfanylacetamide
CID 134025531
N-[(2R)-2-hydroxypropyl]-2-phthalazin-1-ylsulfanylacetamide
CID 40543272
N-(2-chloro-4-methylphenyl)-2-[(4,12-dimethyl-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaen-9-yl)sulfanyl]acetamide
CID 22552607
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(2-chloro-4-methylphenyl)acetamide
CID 43302066
N-(2-chloro-4-methylphenyl)-2-quinolin-8-ylsulfanylacetamide
CID 4297004

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide (CID 134025528) is N-(2-chloro-4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide is Cc1ccc(NC(=O)CSc2nncc3ccccc23)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide?
The InChIKey is QYVCCRWRPPFZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c1-11-6-7-15(14(18)8-11)20-16(22)10-23-17-13-5-3-2-4-12(13)9-19-21-17/h2-9H,10H2,1H3,(H,20,22).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide?
N-(2-chloro-4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide has a molecular weight of 343.84 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide is sourced from PubChem (CID 134025528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).