2-cyclopentylsulfanyl-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]acetamide

C22H27NO2S — CID 97355082

IUPAC2-cyclopentylsulfanyl-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]acetamide
SMILESC[C@](O)(CNC(=O)CSC1CCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H27NO2S/c1-22(25,16-23-21(24)15-26-20-9-5-6-10-20)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-4,7-8,11-14,20,25H,5-6,9-10,15-16H2,1H3,(H,23,24)/t22-/m0/s1
InChIKeyINEYOOPHLAXLIF-QFIPXVFZSA-N
MW369.53 g/mol
LogP4.35
Rot. Bonds7

About 2-cyclopentylsulfanyl-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]acetamide

2-cyclopentylsulfanyl-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]acetamide (PubChem CID 97355082) has the molecular formula C22H27NO2S and a molecular weight of 369.53 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]acetamide
PubChem CID97355082
Molecular FormulaC22H27NO2S
Molecular Weight369.53 g/mol
Exact Mass369.18
IUPAC Name2-cyclopentylsulfanyl-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]acetamide
SMILESC[C@](O)(CNC(=O)CSC1CCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H27NO2S/c1-22(25,16-23-21(24)15-26-20-9-5-6-10-20)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-4,7-8,11-14,20,25H,5-6,9-10,15-16H2,1H3,(H,23,24)/t22-/m0/s1
InChIKeyINEYOOPHLAXLIF-QFIPXVFZSA-N
XLogP4.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]acetamide (CID 97355082) is 2-cyclopentylsulfanyl-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]acetamide is C[C@](O)(CNC(=O)CSC1CCCC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]acetamide?
The InChIKey is INEYOOPHLAXLIF-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H27NO2S/c1-22(25,16-23-21(24)15-26-20-9-5-6-10-20)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-4,7-8,11-14,20,25H,5-6,9-10,15-16H2,1H3,(H,23,24)/t22-/m0/s1.
What are the key properties of 2-cyclopentylsulfanyl-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]acetamide?
2-cyclopentylsulfanyl-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]acetamide has a molecular weight of 369.53 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]acetamide is sourced from PubChem (CID 97355082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).