2-(6-methyl-3-phenylsulfanyl-1H-indol-2-yl)acetamide

C17H16N2OS — CID 90480442

IUPAC2-(6-methyl-3-phenylsulfanyl-1H-indol-2-yl)acetamide
SMILESCc1ccc2c(Sc3ccccc3)c(CC(N)=O)[nH]c2c1
InChIInChI=1S/C17H16N2OS/c1-11-7-8-13-14(9-11)19-15(10-16(18)20)17(13)21-12-5-3-2-4-6-12/h2-9,19H,10H2,1H3,(H2,18,20)
InChIKeyDHKQHIUYRJLWHU-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.66
Rot. Bonds4

About 2-(6-methyl-3-phenylsulfanyl-1H-indol-2-yl)acetamide

2-(6-methyl-3-phenylsulfanyl-1H-indol-2-yl)acetamide (PubChem CID 90480442) has the molecular formula C17H16N2OS and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-(6-methyl-3-phenylsulfanyl-1H-indol-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-3-phenylsulfanyl-1H-indol-2-yl)acetamide
PubChem CID90480442
Molecular FormulaC17H16N2OS
Molecular Weight296.39 g/mol
Exact Mass296.10
IUPAC Name2-(6-methyl-3-phenylsulfanyl-1H-indol-2-yl)acetamide
SMILESCc1ccc2c(Sc3ccccc3)c(CC(N)=O)[nH]c2c1
InChIInChI=1S/C17H16N2OS/c1-11-7-8-13-14(9-11)19-15(10-16(18)20)17(13)21-12-5-3-2-4-6-12/h2-9,19H,10H2,1H3,(H2,18,20)
InChIKeyDHKQHIUYRJLWHU-UHFFFAOYSA-N
XLogP3.66
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-phenylsulfanyl-1H-indol-2-yl)acetamide?
The IUPAC name of 2-(6-methyl-3-phenylsulfanyl-1H-indol-2-yl)acetamide (CID 90480442) is 2-(6-methyl-3-phenylsulfanyl-1H-indol-2-yl)acetamide.
What is the SMILES notation for 2-(6-methyl-3-phenylsulfanyl-1H-indol-2-yl)acetamide?
The canonical SMILES for 2-(6-methyl-3-phenylsulfanyl-1H-indol-2-yl)acetamide is Cc1ccc2c(Sc3ccccc3)c(CC(N)=O)[nH]c2c1.
What is the InChIKey of 2-(6-methyl-3-phenylsulfanyl-1H-indol-2-yl)acetamide?
The InChIKey is DHKQHIUYRJLWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-11-7-8-13-14(9-11)19-15(10-16(18)20)17(13)21-12-5-3-2-4-6-12/h2-9,19H,10H2,1H3,(H2,18,20).
What are the key properties of 2-(6-methyl-3-phenylsulfanyl-1H-indol-2-yl)acetamide?
2-(6-methyl-3-phenylsulfanyl-1H-indol-2-yl)acetamide has a molecular weight of 296.39 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-phenylsulfanyl-1H-indol-2-yl)acetamide is sourced from PubChem (CID 90480442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).