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

C17H23NO2S — CID 97355126

IUPAC2-cyclopentylsulfanyl-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]acetamide
SMILESO=C(CSC1CCCC1)NC[C@]1(O)CCc2ccccc21
InChIInChI=1S/C17H23NO2S/c19-16(11-21-14-6-2-3-7-14)18-12-17(20)10-9-13-5-1-4-8-15(13)17/h1,4-5,8,14,20H,2-3,6-7,9-12H2,(H,18,19)/t17-/m1/s1
InChIKeyIQFPJQSYYXUSNG-QGZVFWFLSA-N
MW305.44 g/mol
LogP2.61
Rot. Bonds5

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

2-cyclopentylsulfanyl-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]acetamide (PubChem CID 97355126) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]acetamide
PubChem CID97355126
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name2-cyclopentylsulfanyl-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]acetamide
SMILESO=C(CSC1CCCC1)NC[C@]1(O)CCc2ccccc21
InChIInChI=1S/C17H23NO2S/c19-16(11-21-14-6-2-3-7-14)18-12-17(20)10-9-13-5-1-4-8-15(13)17/h1,4-5,8,14,20H,2-3,6-7,9-12H2,(H,18,19)/t17-/m1/s1
InChIKeyIQFPJQSYYXUSNG-QGZVFWFLSA-N
XLogP2.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylthio)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
CID 71806239
N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)-3-(phenylthio)propanamide
CID 71782151
N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)-3-(phenylsulfonyl)propanamide
CID 71782165
N1-cyclopentyl-N2-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)oxalamide
CID 71782195
N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)cyclohex-3-enecarboxamide
CID 71796723
2-(cyclopentylthio)-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)acetamide
CID 71806388
2-(cyclopentylthio)-N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)acetamide
CID 91631279
N-{[(S)-1-hydroxy-1-indanyl]methyl}1-(2-thienyl)cyclopentanecarboxamide
CID 95983130
N-[(R)-2-(4-biphenylyl)-2-hydroxypropyl](cyclopentylthio)acetamide
CID 97355082
N-{[(S)-1-hydroxy-1-indanyl]methyl}(3-thienyl)acetamide
CID 99708335
2-(benzylthio)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
CID 71781978
2-((4-fluorophenyl)thio)-N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)acetamide
CID 71782152

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]acetamide (CID 97355126) is 2-cyclopentylsulfanyl-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]acetamide is O=C(CSC1CCCC1)NC[C@]1(O)CCc2ccccc21.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]acetamide?
The InChIKey is IQFPJQSYYXUSNG-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H23NO2S/c19-16(11-21-14-6-2-3-7-14)18-12-17(20)10-9-13-5-1-4-8-15(13)17/h1,4-5,8,14,20H,2-3,6-7,9-12H2,(H,18,19)/t17-/m1/s1.
What are the key properties of 2-cyclopentylsulfanyl-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]acetamide?
2-cyclopentylsulfanyl-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]acetamide has a molecular weight of 305.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]acetamide is sourced from PubChem (CID 97355126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).