N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

C20H23NO2S — CID 95983130

IUPACN-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NC[C@]1(O)CCc2ccccc21)C1(c2cccs2)CCCC1
InChIInChI=1S/C20H23NO2S/c22-18(19(10-3-4-11-19)17-8-5-13-24-17)21-14-20(23)12-9-15-6-1-2-7-16(15)20/h1-2,5-8,13,23H,3-4,9-12,14H2,(H,21,22)/t20-/m1/s1
InChIKeyFMBRFBVALYNLIM-HXUWFJFHSA-N
MW341.48 g/mol
LogP3.51
Rot. Bonds4

About N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 95983130) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID95983130
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC NameN-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NC[C@]1(O)CCc2ccccc21)C1(c2cccs2)CCCC1
InChIInChI=1S/C20H23NO2S/c22-18(19(10-3-4-11-19)17-8-5-13-24-17)21-14-20(23)12-9-15-6-1-2-7-16(15)20/h1-2,5-8,13,23H,3-4,9-12,14H2,(H,21,22)/t20-/m1/s1
InChIKeyFMBRFBVALYNLIM-HXUWFJFHSA-N
XLogP3.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(thiophen-2-yl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
CID 71781968
N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)thiophene-2-carboxamide
CID 71782124
N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)thiophene-3-carboxamide
CID 71782125
N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)-3-(phenylthio)propanamide
CID 71782151
N-(2-hydroxy-2-(4-(methylthio)phenyl)ethyl)-1-(thiophen-2-yl)cyclopentanecarboxamide
CID 71803824
N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-1-(thiophen-2-yl)cyclopentanecarboxamide
CID 86263970
N-[(2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl]-2-(thiophen-3-yl)acetamide
CID 91631315
N-[(R)-2-cyclopropyl-2-hydroxy-2-(2-thienyl)ethyl]1-(2-thienyl)cyclopentanecarboxamide
CID 95982751
N-[(R)-2-(4-biphenylyl)-2-hydroxypropyl](2-thienyl)acetamide
CID 95982810
N-[(S)-3-hydroxy-3-phenylpropyl]1-(2-thienyl)cyclopentanecarboxamide
CID 97038576
N-{[(S)-1-hydroxy-1-indanyl]methyl}(cyclopentylthio)acetamide
CID 97355126
N-{[(S)-1-hydroxy-1-indanyl]methyl}(3-thienyl)acetamide
CID 99708335

Frequently Asked Questions

What is the IUPAC name of N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 95983130) is N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is O=C(NC[C@]1(O)CCc2ccccc21)C1(c2cccs2)CCCC1.
What is the InChIKey of N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is FMBRFBVALYNLIM-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H23NO2S/c22-18(19(10-3-4-11-19)17-8-5-13-24-17)21-14-20(23)12-9-15-6-1-2-7-16(15)20/h1-2,5-8,13,23H,3-4,9-12,14H2,(H,21,22)/t20-/m1/s1.
What are the key properties of N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 341.48 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 95983130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).