N-(4-ethoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide

C18H21NO2S — CID 42435379

IUPACN-(4-ethoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C2(c3cccs3)CCCC2)cc1
InChIInChI=1S/C18H21NO2S/c1-2-21-15-9-7-14(8-10-15)19-17(20)18(11-3-4-12-18)16-6-5-13-22-16/h5-10,13H,2-4,11-12H2,1H3,(H,19,20)
InChIKeyLAVSWOBASRGWFW-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.60
Rot. Bonds5

About N-(4-ethoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide

N-(4-ethoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 42435379) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID42435379
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-(4-ethoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C2(c3cccs3)CCCC2)cc1
InChIInChI=1S/C18H21NO2S/c1-2-21-15-9-7-14(8-10-15)19-17(20)18(11-3-4-12-18)16-6-5-13-22-16/h5-10,13H,2-4,11-12H2,1H3,(H,19,20)
InChIKeyLAVSWOBASRGWFW-UHFFFAOYSA-N
XLogP4.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 42435379) is N-(4-ethoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide is CCOc1ccc(NC(=O)C2(c3cccs3)CCCC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is LAVSWOBASRGWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-2-21-15-9-7-14(8-10-15)19-17(20)18(11-3-4-12-18)16-6-5-13-22-16/h5-10,13H,2-4,11-12H2,1H3,(H,19,20).
What are the key properties of N-(4-ethoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-(4-ethoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 42435379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).