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

C20H23NO2S — CID 71782161

IUPACN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NCC1(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)
InChIKeyFMBRFBVALYNLIM-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.51
Rot. Bonds4

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

N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 71782161) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID71782161
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NCC1(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)
InChIKeyFMBRFBVALYNLIM-UHFFFAOYSA-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

N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 90581131
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-2-carboxamide
CID 71782124
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]adamantane-1-carboxamide
CID 90499031
N-[(4-phenylsulfanyloxan-4-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 90523284
N-(3-hydroxy-3-phenylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 71782253
N-[(3R)-3-hydroxy-3-phenylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 97038575
N-(2-amino-2-ethylbutyl)-1-thiophen-2-ylcyclohexane-1-carboxamide
CID 119642271
N-[(2-hydroxycyclopentyl)methyl]-1-thiophen-2-ylcyclohexane-1-carboxamide
CID 111471238
6-[(1-thiophen-2-ylcyclohexanecarbonyl)amino]hexanoic acid
CID 119220064
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclohexane-1-carboxamide;hydrochloride
CID 120890674
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 121137407
N-(2-fluorophenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 42435427

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 71782161) is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is O=C(NCC1(O)CCc2ccccc21)C1(c2cccs2)CCCC1.
What is the InChIKey of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is FMBRFBVALYNLIM-UHFFFAOYSA-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).
What are the key properties of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-[(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-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 71782161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).