2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide

C14H11F3N6OS — CID 24793625

IUPAC2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESNc1ncnc2nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)[nH]c12
InChIInChI=1S/C14H11F3N6OS/c15-14(16,17)7-2-1-3-8(4-7)21-9(24)5-25-13-22-10-11(18)19-6-20-12(10)23-13/h1-4,6H,5H2,(H,21,24)(H3,18,19,20,22,23)
InChIKeyDMAYGYDVQJSORM-UHFFFAOYSA-N
MW368.34 g/mol
LogP2.68
Rot. Bonds4

About 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 24793625) has the molecular formula C14H11F3N6OS and a molecular weight of 368.34 g/mol. Its IUPAC name is 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID24793625
Molecular FormulaC14H11F3N6OS
Molecular Weight368.34 g/mol
Exact Mass368.07
IUPAC Name2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESNc1ncnc2nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)[nH]c12
InChIInChI=1S/C14H11F3N6OS/c15-14(16,17)7-2-1-3-8(4-7)21-9(24)5-25-13-22-10-11(18)19-6-20-12(10)23-13/h1-4,6H,5H2,(H,21,24)(H3,18,19,20,22,23)
InChIKeyDMAYGYDVQJSORM-UHFFFAOYSA-N
XLogP2.68
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-phenylacetamide
CID 858758
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 21232399
N-[4-[[2-[(6-amino-7H-purin-8-yl)sulfanyl]acetyl]amino]phenyl]propanamide
CID 3365716
N-[4-amino-6-oxo-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-1H-pyrimidin-5-yl]-4-fluorobenzamide
CID 135705741
N-[4-amino-6-oxo-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-1H-pyrimidin-5-yl]furan-2-carboxamide
CID 135529335
2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 858560
2-[(5-pyridin-4-yl-1H-imidazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 10384977
2-[(6-amino-7H-purin-8-yl)sulfanyl]-1-phenylethanone
CID 858577
2-(2-amino-6-chloro-5-formylpyrimidin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 11486117
2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(2,5-diethoxyphenyl)acetamide
CID 5014230
1-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]urea
CID 4653741
2-[[5-cyano-4-(4-methylphenyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135667098

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 24793625) is 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide is Nc1ncnc2nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)[nH]c12.
What is the InChIKey of 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is DMAYGYDVQJSORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N6OS/c15-14(16,17)7-2-1-3-8(4-7)21-9(24)5-25-13-22-10-11(18)19-6-20-12(10)23-13/h1-4,6H,5H2,(H,21,24)(H3,18,19,20,22,23).
What are the key properties of 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 368.34 g/mol, XLogP of 2.68, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 24793625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).