2-cyclopentylsulfanyl-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide

C16H23NO2S2 — CID 97416806

IUPAC2-cyclopentylsulfanyl-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide
SMILESCSc1ccc([C@@H](O)CNC(=O)CSC2CCCC2)cc1
InChIInChI=1S/C16H23NO2S2/c1-20-13-8-6-12(7-9-13)15(18)10-17-16(19)11-21-14-4-2-3-5-14/h6-9,14-15,18H,2-5,10-11H2,1H3,(H,17,19)/t15-/m0/s1
InChIKeyCNSVHHKFCINUTQ-HNNXBMFYSA-N
MW325.50 g/mol
LogP3.23
Rot. Bonds7

About 2-cyclopentylsulfanyl-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide

2-cyclopentylsulfanyl-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide (PubChem CID 97416806) has the molecular formula C16H23NO2S2 and a molecular weight of 325.50 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide
PubChem CID97416806
Molecular FormulaC16H23NO2S2
Molecular Weight325.50 g/mol
Exact Mass325.12
IUPAC Name2-cyclopentylsulfanyl-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide
SMILESCSc1ccc([C@@H](O)CNC(=O)CSC2CCCC2)cc1
InChIInChI=1S/C16H23NO2S2/c1-20-13-8-6-12(7-9-13)15(18)10-17-16(19)11-21-14-4-2-3-5-14/h6-9,14-15,18H,2-5,10-11H2,1H3,(H,17,19)/t15-/m0/s1
InChIKeyCNSVHHKFCINUTQ-HNNXBMFYSA-N
XLogP3.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide (CID 97416806) is 2-cyclopentylsulfanyl-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide is CSc1ccc([C@@H](O)CNC(=O)CSC2CCCC2)cc1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide?
The InChIKey is CNSVHHKFCINUTQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23NO2S2/c1-20-13-8-6-12(7-9-13)15(18)10-17-16(19)11-21-14-4-2-3-5-14/h6-9,14-15,18H,2-5,10-11H2,1H3,(H,17,19)/t15-/m0/s1.
What are the key properties of 2-cyclopentylsulfanyl-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide?
2-cyclopentylsulfanyl-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide has a molecular weight of 325.50 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide is sourced from PubChem (CID 97416806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).