2-(2,6-dichloropurin-9-yl)-N-(4-methylsulfinylphenyl)acetamide

C14H11Cl2N5O2S — CID 177001298

IUPAC2-(2,6-dichloropurin-9-yl)-N-(4-methylsulfinylphenyl)acetamide
SMILESCS(=O)c1ccc(NC(=O)Cn2cnc3c(Cl)nc(Cl)nc32)cc1
InChIInChI=1S/C14H11Cl2N5O2S/c1-24(23)9-4-2-8(3-5-9)18-10(22)6-21-7-17-11-12(15)19-14(16)20-13(11)21/h2-5,7H,6H2,1H3,(H,18,22)
InChIKeyKXZVOHOFOUDWNR-UHFFFAOYSA-N
MW384.25 g/mol
LogP2.51
Rot. Bonds4

About 2-(2,6-dichloropurin-9-yl)-N-(4-methylsulfinylphenyl)acetamide

2-(2,6-dichloropurin-9-yl)-N-(4-methylsulfinylphenyl)acetamide (PubChem CID 177001298) has the molecular formula C14H11Cl2N5O2S and a molecular weight of 384.25 g/mol. Its IUPAC name is 2-(2,6-dichloropurin-9-yl)-N-(4-methylsulfinylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dichloropurin-9-yl)-N-(4-methylsulfinylphenyl)acetamide
PubChem CID177001298
Molecular FormulaC14H11Cl2N5O2S
Molecular Weight384.25 g/mol
Exact Mass383.00
IUPAC Name2-(2,6-dichloropurin-9-yl)-N-(4-methylsulfinylphenyl)acetamide
SMILESCS(=O)c1ccc(NC(=O)Cn2cnc3c(Cl)nc(Cl)nc32)cc1
InChIInChI=1S/C14H11Cl2N5O2S/c1-24(23)9-4-2-8(3-5-9)18-10(22)6-21-7-17-11-12(15)19-14(16)20-13(11)21/h2-5,7H,6H2,1H3,(H,18,22)
InChIKeyKXZVOHOFOUDWNR-UHFFFAOYSA-N
XLogP2.51
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)-2-(2,6-dichloropurin-9-yl)ethanone
CID 170775423
2-(2,6-dichloropurin-7-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 177001296
4-[3-(2-amino-6-chloropurin-9-yl)propanoylamino]benzoic acid
CID 22987935
2-indazol-1-yl-N-(4-methylsulfinylphenyl)acetamide
CID 71994539
N-[2-(2,6-dichloropurin-9-yl)ethyl]methanesulfonamide
CID 58285343
2-(2-anilino-6-chloropurin-9-yl)acetic acid
CID 19036012
2-(6-aminopurin-9-yl)-N-(4-bromophenyl)acetamide
CID 62664724
ethyl 7-(2,6-dichloropurin-9-yl)heptanoate
CID 118366979
2-(6-chloro-2-fluoropurin-9-yl)acetic acid
CID 86049987
2,6-dichloro-9-(2-pyrrolidin-1-ylethyl)purine
CID 24904110
N-(3,4-dichlorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27873306
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(4-fluorophenyl)acetamide
CID 114585167

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloropurin-9-yl)-N-(4-methylsulfinylphenyl)acetamide?
The IUPAC name of 2-(2,6-dichloropurin-9-yl)-N-(4-methylsulfinylphenyl)acetamide (CID 177001298) is 2-(2,6-dichloropurin-9-yl)-N-(4-methylsulfinylphenyl)acetamide.
What is the SMILES notation for 2-(2,6-dichloropurin-9-yl)-N-(4-methylsulfinylphenyl)acetamide?
The canonical SMILES for 2-(2,6-dichloropurin-9-yl)-N-(4-methylsulfinylphenyl)acetamide is CS(=O)c1ccc(NC(=O)Cn2cnc3c(Cl)nc(Cl)nc32)cc1.
What is the InChIKey of 2-(2,6-dichloropurin-9-yl)-N-(4-methylsulfinylphenyl)acetamide?
The InChIKey is KXZVOHOFOUDWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5O2S/c1-24(23)9-4-2-8(3-5-9)18-10(22)6-21-7-17-11-12(15)19-14(16)20-13(11)21/h2-5,7H,6H2,1H3,(H,18,22).
What are the key properties of 2-(2,6-dichloropurin-9-yl)-N-(4-methylsulfinylphenyl)acetamide?
2-(2,6-dichloropurin-9-yl)-N-(4-methylsulfinylphenyl)acetamide has a molecular weight of 384.25 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloropurin-9-yl)-N-(4-methylsulfinylphenyl)acetamide is sourced from PubChem (CID 177001298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).