2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(quinolin-8-yloxymethyl)phenyl]acetamide

C24H22N4O2S — CID 134433614

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(quinolin-8-yloxymethyl)phenyl]acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2cccc(COc3cccc4cccnc34)c2)n1
InChIInChI=1S/C24H22N4O2S/c1-16-12-17(2)27-24(26-16)31-15-22(29)28-20-9-3-6-18(13-20)14-30-21-10-4-7-19-8-5-11-25-23(19)21/h3-13H,14-15H2,1-2H3,(H,28,29)
InChIKeyFSSLFZKOUYPPCH-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.95
Rot. Bonds7

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(quinolin-8-yloxymethyl)phenyl]acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(quinolin-8-yloxymethyl)phenyl]acetamide (PubChem CID 134433614) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(quinolin-8-yloxymethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(quinolin-8-yloxymethyl)phenyl]acetamide
PubChem CID134433614
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(quinolin-8-yloxymethyl)phenyl]acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2cccc(COc3cccc4cccnc34)c2)n1
InChIInChI=1S/C24H22N4O2S/c1-16-12-17(2)27-24(26-16)31-15-22(29)28-20-9-3-6-18(13-20)14-30-21-10-4-7-19-8-5-11-25-23(19)21/h3-13H,14-15H2,1-2H3,(H,28,29)
InChIKeyFSSLFZKOUYPPCH-UHFFFAOYSA-N
XLogP4.95
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(quinolin-8-yloxymethyl)phenyl]acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(quinolin-8-yloxymethyl)phenyl]acetamide (CID 134433614) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(quinolin-8-yloxymethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(quinolin-8-yloxymethyl)phenyl]acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(quinolin-8-yloxymethyl)phenyl]acetamide is Cc1cc(C)nc(SCC(=O)Nc2cccc(COc3cccc4cccnc34)c2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(quinolin-8-yloxymethyl)phenyl]acetamide?
The InChIKey is FSSLFZKOUYPPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c1-16-12-17(2)27-24(26-16)31-15-22(29)28-20-9-3-6-18(13-20)14-30-21-10-4-7-19-8-5-11-25-23(19)21/h3-13H,14-15H2,1-2H3,(H,28,29).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(quinolin-8-yloxymethyl)phenyl]acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(quinolin-8-yloxymethyl)phenyl]acetamide has a molecular weight of 430.53 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(quinolin-8-yloxymethyl)phenyl]acetamide is sourced from PubChem (CID 134433614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).