2-cyclopentylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide

C18H27NO2S — CID 97355114

IUPAC2-cyclopentylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide
SMILESC[C@](O)(CCc1ccccc1)CNC(=O)CSC1CCCC1
InChIInChI=1S/C18H27NO2S/c1-18(21,12-11-15-7-3-2-4-8-15)14-19-17(20)13-22-16-9-5-6-10-16/h2-4,7-8,16,21H,5-6,9-14H2,1H3,(H,19,20)/t18-/m0/s1
InChIKeyVAEUSWVLMMTTRQ-SFHVURJKSA-N
MW321.49 g/mol
LogP3.16
Rot. Bonds8

About 2-cyclopentylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide

2-cyclopentylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide (PubChem CID 97355114) has the molecular formula C18H27NO2S and a molecular weight of 321.49 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide
PubChem CID97355114
Molecular FormulaC18H27NO2S
Molecular Weight321.49 g/mol
Exact Mass321.18
IUPAC Name2-cyclopentylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide
SMILESC[C@](O)(CCc1ccccc1)CNC(=O)CSC1CCCC1
InChIInChI=1S/C18H27NO2S/c1-18(21,12-11-15-7-3-2-4-8-15)14-19-17(20)13-22-16-9-5-6-10-16/h2-4,7-8,16,21H,5-6,9-14H2,1H3,(H,19,20)/t18-/m0/s1
InChIKeyVAEUSWVLMMTTRQ-SFHVURJKSA-N
XLogP3.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-((4-fluorophenyl)thio)-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide
CID 52992685
2-(cyclopentylthio)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
CID 71806239
N-[(R)-2-cyclopropyl-2-hydroxypropyl](benzylthio)acetamide
CID 52907093
N-(2-hydroxy-2-methyl-3-(methylthio)propyl)-4-phenylbutanamide
CID 71787180
2-(benzylthio)-N-(2-hydroxy-2-methyl-3-(methylthio)propyl)acetamide
CID 71787190
N-(2-hydroxy-2-methyl-4-(methylthio)butyl)-3-phenylpropanamide
CID 71787275
N-(2-hydroxy-2-methyl-4-(methylthio)butyl)-2-phenylbutanamide
CID 71787285
N1-(2-hydroxy-2-methyl-4-(methylthio)butyl)-N2-phenethyloxalamide
CID 71787376
2-(cyclopentylthio)-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)acetamide
CID 71806388
N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-3-phenylprop-2-enamide
CID 71960786
2-(cyclopentylthio)-N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)acetamide
CID 91631279
N-[(S)-2-hydroxy-2-methyl-3-(methylthio)propyl]4-phenylbutyramide
CID 95984107

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide (CID 97355114) is 2-cyclopentylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide is C[C@](O)(CCc1ccccc1)CNC(=O)CSC1CCCC1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide?
The InChIKey is VAEUSWVLMMTTRQ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H27NO2S/c1-18(21,12-11-15-7-3-2-4-8-15)14-19-17(20)13-22-16-9-5-6-10-16/h2-4,7-8,16,21H,5-6,9-14H2,1H3,(H,19,20)/t18-/m0/s1.
What are the key properties of 2-cyclopentylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide?
2-cyclopentylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide has a molecular weight of 321.49 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide is sourced from PubChem (CID 97355114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).