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

C15H15N7O2S — CID 4664940

IUPACN-(3-acetamidophenyl)-2-[(6-amino-7H-purin-8-yl)sulfanyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2nc3ncnc(N)c3[nH]2)c1
InChIInChI=1S/C15H15N7O2S/c1-8(23)19-9-3-2-4-10(5-9)20-11(24)6-25-15-21-12-13(16)17-7-18-14(12)22-15/h2-5,7H,6H2,1H3,(H,19,23)(H,20,24)(H3,16,17,18,21,22)
InChIKeyZGOQIHZATRBOEB-UHFFFAOYSA-N
MW357.40 g/mol
LogP1.62
Rot. Bonds5

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

N-(3-acetamidophenyl)-2-[(6-amino-7H-purin-8-yl)sulfanyl]acetamide (PubChem CID 4664940) has the molecular formula C15H15N7O2S and a molecular weight of 357.40 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[(6-amino-7H-purin-8-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[(6-amino-7H-purin-8-yl)sulfanyl]acetamide
PubChem CID4664940
Molecular FormulaC15H15N7O2S
Molecular Weight357.40 g/mol
Exact Mass357.10
IUPAC NameN-(3-acetamidophenyl)-2-[(6-amino-7H-purin-8-yl)sulfanyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2nc3ncnc(N)c3[nH]2)c1
InChIInChI=1S/C15H15N7O2S/c1-8(23)19-9-3-2-4-10(5-9)20-11(24)6-25-15-21-12-13(16)17-7-18-14(12)22-15/h2-5,7H,6H2,1H3,(H,19,23)(H,20,24)(H3,16,17,18,21,22)
InChIKeyZGOQIHZATRBOEB-UHFFFAOYSA-N
XLogP1.62
TPSA138.68 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-phenylacetamide
CID 858758
2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 24793625
N-[4-[[2-[(6-amino-7H-purin-8-yl)sulfanyl]acetyl]amino]phenyl]propanamide
CID 3365716
2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 858560
2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 1468356
2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(2,5-diethoxyphenyl)acetamide
CID 5014230
N-(3-acetamidophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 859978
2-[(6-amino-7H-purin-8-yl)sulfanyl]-1-phenylethanone
CID 858577
2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 135461607
N-(3-acetamidophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135490028
2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 3193200
N-(3-acetamidophenyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide
CID 27736272

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[(6-amino-7H-purin-8-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[(6-amino-7H-purin-8-yl)sulfanyl]acetamide (CID 4664940) is N-(3-acetamidophenyl)-2-[(6-amino-7H-purin-8-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[(6-amino-7H-purin-8-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[(6-amino-7H-purin-8-yl)sulfanyl]acetamide is CC(=O)Nc1cccc(NC(=O)CSc2nc3ncnc(N)c3[nH]2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[(6-amino-7H-purin-8-yl)sulfanyl]acetamide?
The InChIKey is ZGOQIHZATRBOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O2S/c1-8(23)19-9-3-2-4-10(5-9)20-11(24)6-25-15-21-12-13(16)17-7-18-14(12)22-15/h2-5,7H,6H2,1H3,(H,19,23)(H,20,24)(H3,16,17,18,21,22).
What are the key properties of N-(3-acetamidophenyl)-2-[(6-amino-7H-purin-8-yl)sulfanyl]acetamide?
N-(3-acetamidophenyl)-2-[(6-amino-7H-purin-8-yl)sulfanyl]acetamide has a molecular weight of 357.40 g/mol, XLogP of 1.62, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[(6-amino-7H-purin-8-yl)sulfanyl]acetamide is sourced from PubChem (CID 4664940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).