2-cyclopentylsulfanyl-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide

C18H25NO2S — CID 91631279

IUPAC2-cyclopentylsulfanyl-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide
SMILESCOC1(CNC(=O)CSC2CCCC2)Cc2ccccc2C1
InChIInChI=1S/C18H25NO2S/c1-21-18(10-14-6-2-3-7-15(14)11-18)13-19-17(20)12-22-16-8-4-5-9-16/h2-3,6-7,16H,4-5,8-13H2,1H3,(H,19,20)
InChIKeyHCFVQRVVSMDALK-UHFFFAOYSA-N
MW319.47 g/mol
LogP2.96
Rot. Bonds6

About 2-cyclopentylsulfanyl-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide

2-cyclopentylsulfanyl-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide (PubChem CID 91631279) has the molecular formula C18H25NO2S and a molecular weight of 319.47 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide
PubChem CID91631279
Molecular FormulaC18H25NO2S
Molecular Weight319.47 g/mol
Exact Mass319.16
IUPAC Name2-cyclopentylsulfanyl-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide
SMILESCOC1(CNC(=O)CSC2CCCC2)Cc2ccccc2C1
InChIInChI=1S/C18H25NO2S/c1-21-18(10-14-6-2-3-7-15(14)11-18)13-19-17(20)12-22-16-8-4-5-9-16/h2-3,6-7,16H,4-5,8-13H2,1H3,(H,19,20)
InChIKeyHCFVQRVVSMDALK-UHFFFAOYSA-N
XLogP2.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide (CID 91631279) is 2-cyclopentylsulfanyl-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide is COC1(CNC(=O)CSC2CCCC2)Cc2ccccc2C1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide?
The InChIKey is HCFVQRVVSMDALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2S/c1-21-18(10-14-6-2-3-7-15(14)11-18)13-19-17(20)12-22-16-8-4-5-9-16/h2-3,6-7,16H,4-5,8-13H2,1H3,(H,19,20).
What are the key properties of 2-cyclopentylsulfanyl-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide?
2-cyclopentylsulfanyl-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide has a molecular weight of 319.47 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide is sourced from PubChem (CID 91631279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).