(2R)-N-(2-methoxyphenyl)-2-(7H-purin-6-ylsulfanyl)propanamide

C15H15N5O2S — CID 40900081

IUPAC(2R)-N-(2-methoxyphenyl)-2-(7H-purin-6-ylsulfanyl)propanamide
SMILESCOc1ccccc1NC(=O)[C@@H](C)Sc1ncnc2nc[nH]c12
InChIInChI=1S/C15H15N5O2S/c1-9(14(21)20-10-5-3-4-6-11(10)22-2)23-15-12-13(17-7-16-12)18-8-19-15/h3-9H,1-2H3,(H,20,21)(H,16,17,18,19)/t9-/m1/s1
InChIKeyAUXWQMAGICHHEU-SECBINFHSA-N
MW329.39 g/mol
LogP2.48
Rot. Bonds5

About (2R)-N-(2-methoxyphenyl)-2-(7H-purin-6-ylsulfanyl)propanamide

(2R)-N-(2-methoxyphenyl)-2-(7H-purin-6-ylsulfanyl)propanamide (PubChem CID 40900081) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is (2R)-N-(2-methoxyphenyl)-2-(7H-purin-6-ylsulfanyl)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-methoxyphenyl)-2-(7H-purin-6-ylsulfanyl)propanamide
PubChem CID40900081
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC Name(2R)-N-(2-methoxyphenyl)-2-(7H-purin-6-ylsulfanyl)propanamide
SMILESCOc1ccccc1NC(=O)[C@@H](C)Sc1ncnc2nc[nH]c12
InChIInChI=1S/C15H15N5O2S/c1-9(14(21)20-10-5-3-4-6-11(10)22-2)23-15-12-13(17-7-16-12)18-8-19-15/h3-9H,1-2H3,(H,20,21)(H,16,17,18,19)/t9-/m1/s1
InChIKeyAUXWQMAGICHHEU-SECBINFHSA-N
XLogP2.48
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(2-chlorophenyl)-2-(7H-purin-6-ylsulfanyl)propanamide
CID 41063647
(2S)-N-(2-fluorophenyl)-2-(7H-purin-6-ylsulfanyl)propanamide
CID 40900661
N-(4-acetylphenyl)-2-(7H-purin-6-ylsulfanyl)propanamide
CID 23101869
(2S)-N-(2-methoxyphenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
CID 2633299
(2S)-N-(2-propan-2-ylpyrazol-3-yl)-2-(7H-purin-6-ylsulfanyl)propanamide
CID 124566871
2-phenyl-2-(7H-purin-6-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 19059021
(2R)-N-(2-methoxyphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135552392
(2S)-N-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
CID 7580490
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 28632787
[1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 2,6-dimethoxybenzoate
CID 154759303
(2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 9046467
(2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 2635570

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxyphenyl)-2-(7H-purin-6-ylsulfanyl)propanamide?
The IUPAC name of (2R)-N-(2-methoxyphenyl)-2-(7H-purin-6-ylsulfanyl)propanamide (CID 40900081) is (2R)-N-(2-methoxyphenyl)-2-(7H-purin-6-ylsulfanyl)propanamide.
What is the SMILES notation for (2R)-N-(2-methoxyphenyl)-2-(7H-purin-6-ylsulfanyl)propanamide?
The canonical SMILES for (2R)-N-(2-methoxyphenyl)-2-(7H-purin-6-ylsulfanyl)propanamide is COc1ccccc1NC(=O)[C@@H](C)Sc1ncnc2nc[nH]c12.
What is the InChIKey of (2R)-N-(2-methoxyphenyl)-2-(7H-purin-6-ylsulfanyl)propanamide?
The InChIKey is AUXWQMAGICHHEU-SECBINFHSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-9(14(21)20-10-5-3-4-6-11(10)22-2)23-15-12-13(17-7-16-12)18-8-19-15/h3-9H,1-2H3,(H,20,21)(H,16,17,18,19)/t9-/m1/s1.
What are the key properties of (2R)-N-(2-methoxyphenyl)-2-(7H-purin-6-ylsulfanyl)propanamide?
(2R)-N-(2-methoxyphenyl)-2-(7H-purin-6-ylsulfanyl)propanamide has a molecular weight of 329.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methoxyphenyl)-2-(7H-purin-6-ylsulfanyl)propanamide is sourced from PubChem (CID 40900081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).