2-cyclopentylsulfanyl-N-(2-hydroxyethyl)-5-methylbenzamide

C15H21NO2S — CID 75446106

IUPAC2-cyclopentylsulfanyl-N-(2-hydroxyethyl)-5-methylbenzamide
SMILESCc1ccc(SC2CCCC2)c(C(=O)NCCO)c1
InChIInChI=1S/C15H21NO2S/c1-11-6-7-14(19-12-4-2-3-5-12)13(10-11)15(18)16-8-9-17/h6-7,10,12,17H,2-5,8-9H2,1H3,(H,16,18)
InChIKeyYJSSSQIKHIEGNR-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.75
Rot. Bonds5

About 2-cyclopentylsulfanyl-N-(2-hydroxyethyl)-5-methylbenzamide

2-cyclopentylsulfanyl-N-(2-hydroxyethyl)-5-methylbenzamide (PubChem CID 75446106) has the molecular formula C15H21NO2S and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-(2-hydroxyethyl)-5-methylbenzamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-(2-hydroxyethyl)-5-methylbenzamide
PubChem CID75446106
Molecular FormulaC15H21NO2S
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC Name2-cyclopentylsulfanyl-N-(2-hydroxyethyl)-5-methylbenzamide
SMILESCc1ccc(SC2CCCC2)c(C(=O)NCCO)c1
InChIInChI=1S/C15H21NO2S/c1-11-6-7-14(19-12-4-2-3-5-12)13(10-11)15(18)16-8-9-17/h6-7,10,12,17H,2-5,8-9H2,1H3,(H,16,18)
InChIKeyYJSSSQIKHIEGNR-UHFFFAOYSA-N
XLogP2.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-(2-hydroxyethyl)-5-methylbenzamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-(2-hydroxyethyl)-5-methylbenzamide (CID 75446106) is 2-cyclopentylsulfanyl-N-(2-hydroxyethyl)-5-methylbenzamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-(2-hydroxyethyl)-5-methylbenzamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-(2-hydroxyethyl)-5-methylbenzamide is Cc1ccc(SC2CCCC2)c(C(=O)NCCO)c1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-(2-hydroxyethyl)-5-methylbenzamide?
The InChIKey is YJSSSQIKHIEGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-11-6-7-14(19-12-4-2-3-5-12)13(10-11)15(18)16-8-9-17/h6-7,10,12,17H,2-5,8-9H2,1H3,(H,16,18).
What are the key properties of 2-cyclopentylsulfanyl-N-(2-hydroxyethyl)-5-methylbenzamide?
2-cyclopentylsulfanyl-N-(2-hydroxyethyl)-5-methylbenzamide has a molecular weight of 279.41 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-(2-hydroxyethyl)-5-methylbenzamide is sourced from PubChem (CID 75446106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).