N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopentanecarboxamide

C14H21NO2S — CID 71810326

IUPACN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopentanecarboxamide
SMILESCOC(CNC(=O)C1CCCC1)c1ccc(C)s1
InChIInChI=1S/C14H21NO2S/c1-10-7-8-13(18-10)12(17-2)9-15-14(16)11-5-3-4-6-11/h7-8,11-12H,3-6,9H2,1-2H3,(H,15,16)
InChIKeyHJQPSMBYPZYSBS-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.05
Rot. Bonds5

About N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopentanecarboxamide

N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopentanecarboxamide (PubChem CID 71810326) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopentanecarboxamide
PubChem CID71810326
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopentanecarboxamide
SMILESCOC(CNC(=O)C1CCCC1)c1ccc(C)s1
InChIInChI=1S/C14H21NO2S/c1-10-7-8-13(18-10)12(17-2)9-15-14(16)11-5-3-4-6-11/h7-8,11-12H,3-6,9H2,1-2H3,(H,15,16)
InChIKeyHJQPSMBYPZYSBS-UHFFFAOYSA-N
XLogP3.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopentanecarboxamide (CID 71810326) is N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopentanecarboxamide is COC(CNC(=O)C1CCCC1)c1ccc(C)s1.
What is the InChIKey of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopentanecarboxamide?
The InChIKey is HJQPSMBYPZYSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-10-7-8-13(18-10)12(17-2)9-15-14(16)11-5-3-4-6-11/h7-8,11-12H,3-6,9H2,1-2H3,(H,15,16).
What are the key properties of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopentanecarboxamide?
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopentanecarboxamide has a molecular weight of 267.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 71810326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).