2-hydroxy-N-methyl-N-(2-methylsulfanylcyclopentyl)-1,3-dihydroindene-2-carboxamide

C17H23NO2S — CID 71866641

IUPAC2-hydroxy-N-methyl-N-(2-methylsulfanylcyclopentyl)-1,3-dihydroindene-2-carboxamide
SMILESCSC1CCCC1N(C)C(=O)C1(O)Cc2ccccc2C1
InChIInChI=1S/C17H23NO2S/c1-18(14-8-5-9-15(14)21-2)16(19)17(20)10-12-6-3-4-7-13(12)11-17/h3-4,6-7,14-15,20H,5,8-11H2,1-2H3
InChIKeyAWUILOCGISHTQA-UHFFFAOYSA-N
MW305.44 g/mol
LogP2.26
Rot. Bonds3

About 2-hydroxy-N-methyl-N-(2-methylsulfanylcyclopentyl)-1,3-dihydroindene-2-carboxamide

2-hydroxy-N-methyl-N-(2-methylsulfanylcyclopentyl)-1,3-dihydroindene-2-carboxamide (PubChem CID 71866641) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is 2-hydroxy-N-methyl-N-(2-methylsulfanylcyclopentyl)-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-methyl-N-(2-methylsulfanylcyclopentyl)-1,3-dihydroindene-2-carboxamide
PubChem CID71866641
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name2-hydroxy-N-methyl-N-(2-methylsulfanylcyclopentyl)-1,3-dihydroindene-2-carboxamide
SMILESCSC1CCCC1N(C)C(=O)C1(O)Cc2ccccc2C1
InChIInChI=1S/C17H23NO2S/c1-18(14-8-5-9-15(14)21-2)16(19)17(20)10-12-6-3-4-7-13(12)11-17/h3-4,6-7,14-15,20H,5,8-11H2,1-2H3
InChIKeyAWUILOCGISHTQA-UHFFFAOYSA-N
XLogP2.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methyl-N-(2-methylsulfanylcyclopentyl)-1,3-dihydroindene-2-carboxamide?
The IUPAC name of 2-hydroxy-N-methyl-N-(2-methylsulfanylcyclopentyl)-1,3-dihydroindene-2-carboxamide (CID 71866641) is 2-hydroxy-N-methyl-N-(2-methylsulfanylcyclopentyl)-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for 2-hydroxy-N-methyl-N-(2-methylsulfanylcyclopentyl)-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for 2-hydroxy-N-methyl-N-(2-methylsulfanylcyclopentyl)-1,3-dihydroindene-2-carboxamide is CSC1CCCC1N(C)C(=O)C1(O)Cc2ccccc2C1.
What is the InChIKey of 2-hydroxy-N-methyl-N-(2-methylsulfanylcyclopentyl)-1,3-dihydroindene-2-carboxamide?
The InChIKey is AWUILOCGISHTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-18(14-8-5-9-15(14)21-2)16(19)17(20)10-12-6-3-4-7-13(12)11-17/h3-4,6-7,14-15,20H,5,8-11H2,1-2H3.
What are the key properties of 2-hydroxy-N-methyl-N-(2-methylsulfanylcyclopentyl)-1,3-dihydroindene-2-carboxamide?
2-hydroxy-N-methyl-N-(2-methylsulfanylcyclopentyl)-1,3-dihydroindene-2-carboxamide has a molecular weight of 305.44 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methyl-N-(2-methylsulfanylcyclopentyl)-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 71866641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).