N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide

C18H23NO2S2 — CID 126850489

IUPACN-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCC(O)(CNC(=O)C1(c2cccs2)CCCC1)Cc1ccsc1
InChIInChI=1S/C18H23NO2S2/c1-17(21,11-14-6-10-22-12-14)13-19-16(20)18(7-2-3-8-18)15-5-4-9-23-15/h4-6,9-10,12,21H,2-3,7-8,11,13H2,1H3,(H,19,20)
InChIKeyMWQBDBDJBGZQHE-UHFFFAOYSA-N
MW349.52 g/mol
LogP3.73
Rot. Bonds6

About N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide

N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 126850489) has the molecular formula C18H23NO2S2 and a molecular weight of 349.52 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID126850489
Molecular FormulaC18H23NO2S2
Molecular Weight349.52 g/mol
Exact Mass349.12
IUPAC NameN-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCC(O)(CNC(=O)C1(c2cccs2)CCCC1)Cc1ccsc1
InChIInChI=1S/C18H23NO2S2/c1-17(21,11-14-6-10-22-12-14)13-19-16(20)18(7-2-3-8-18)15-5-4-9-23-15/h4-6,9-10,12,21H,2-3,7-8,11,13H2,1H3,(H,19,20)
InChIKeyMWQBDBDJBGZQHE-UHFFFAOYSA-N
XLogP3.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 126850489) is N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide is CC(O)(CNC(=O)C1(c2cccs2)CCCC1)Cc1ccsc1.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is MWQBDBDJBGZQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2S2/c1-17(21,11-14-6-10-22-12-14)13-19-16(20)18(7-2-3-8-18)15-5-4-9-23-15/h4-6,9-10,12,21H,2-3,7-8,11,13H2,1H3,(H,19,20).
What are the key properties of N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 349.52 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 126850489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).