N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

C21H25NO2S — CID 90581131

IUPACN-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NCC1(O)CCc2ccccc2C1)C1(c2cccs2)CCCC1
InChIInChI=1S/C21H25NO2S/c23-19(21(10-3-4-11-21)18-8-5-13-25-18)22-15-20(24)12-9-16-6-1-2-7-17(16)14-20/h1-2,5-8,13,24H,3-4,9-12,14-15H2,(H,22,23)
InChIKeyFGKDECUEDYJPMC-UHFFFAOYSA-N
MW355.50 g/mol
LogP3.60
Rot. Bonds4

About N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 90581131) has the molecular formula C21H25NO2S and a molecular weight of 355.50 g/mol. Its IUPAC name is N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID90581131
Molecular FormulaC21H25NO2S
Molecular Weight355.50 g/mol
Exact Mass355.16
IUPAC NameN-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NCC1(O)CCc2ccccc2C1)C1(c2cccs2)CCCC1
InChIInChI=1S/C21H25NO2S/c23-19(21(10-3-4-11-21)18-8-5-13-25-18)22-15-20(24)12-9-16-6-1-2-7-17(16)14-20/h1-2,5-8,13,24H,3-4,9-12,14-15H2,(H,22,23)
InChIKeyFGKDECUEDYJPMC-UHFFFAOYSA-N
XLogP3.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 90581131) is N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is O=C(NCC1(O)CCc2ccccc2C1)C1(c2cccs2)CCCC1.
What is the InChIKey of N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is FGKDECUEDYJPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2S/c23-19(21(10-3-4-11-21)18-8-5-13-25-18)22-15-20(24)12-9-16-6-1-2-7-17(16)14-20/h1-2,5-8,13,24H,3-4,9-12,14-15H2,(H,22,23).
What are the key properties of N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 355.50 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 90581131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).