N-[4-(2-fluorophenoxy)but-2-ynyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

C20H20FNO2S — CID 90574572

IUPACN-[4-(2-fluorophenoxy)but-2-ynyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NCC#CCOc1ccccc1F)C1(c2cccs2)CCCC1
InChIInChI=1S/C20H20FNO2S/c21-16-8-1-2-9-17(16)24-14-6-5-13-22-19(23)20(11-3-4-12-20)18-10-7-15-25-18/h1-2,7-10,15H,3-4,11-14H2,(H,22,23)
InChIKeyIXOXVHDYQGEDRH-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.90
Rot. Bonds5

About N-[4-(2-fluorophenoxy)but-2-ynyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

N-[4-(2-fluorophenoxy)but-2-ynyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 90574572) has the molecular formula C20H20FNO2S and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[4-(2-fluorophenoxy)but-2-ynyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(2-fluorophenoxy)but-2-ynyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID90574572
Molecular FormulaC20H20FNO2S
Molecular Weight357.45 g/mol
Exact Mass357.12
IUPAC NameN-[4-(2-fluorophenoxy)but-2-ynyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NCC#CCOc1ccccc1F)C1(c2cccs2)CCCC1
InChIInChI=1S/C20H20FNO2S/c21-16-8-1-2-9-17(16)24-14-6-5-13-22-19(23)20(11-3-4-12-20)18-10-7-15-25-18/h1-2,7-10,15H,3-4,11-14H2,(H,22,23)
InChIKeyIXOXVHDYQGEDRH-UHFFFAOYSA-N
XLogP3.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-methoxyphenoxy)but-2-ynyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 71802934
2-(2-fluorophenoxy)-N-(1-thiophen-2-ylcyclopentyl)acetamide
CID 119099271
N-(2-fluorophenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 42435427
N-(2-methoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 42435562
N-[4-(2-fluorophenoxy)but-2-ynyl]-2,2-dimethylpropanamide
CID 90574385
N-(2,4-difluorophenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 42435435
4-bromo-N-[4-(2-fluorophenoxy)but-2-ynyl]butanamide
CID 90574526
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 90581131
N-(2-amino-2-ethylbutyl)-1-thiophen-2-ylcyclohexane-1-carboxamide
CID 119642271
N-[4-(2-fluorophenoxy)but-2-ynyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 90574343
N-[4-(2-fluorophenoxy)but-2-ynyl]-4-methylthiophene-2-carboxamide
CID 90574583
N-[(2-hydroxycyclopentyl)methyl]-1-thiophen-2-ylcyclohexane-1-carboxamide
CID 111471238

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluorophenoxy)but-2-ynyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[4-(2-fluorophenoxy)but-2-ynyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 90574572) is N-[4-(2-fluorophenoxy)but-2-ynyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[4-(2-fluorophenoxy)but-2-ynyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[4-(2-fluorophenoxy)but-2-ynyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is O=C(NCC#CCOc1ccccc1F)C1(c2cccs2)CCCC1.
What is the InChIKey of N-[4-(2-fluorophenoxy)but-2-ynyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is IXOXVHDYQGEDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO2S/c21-16-8-1-2-9-17(16)24-14-6-5-13-22-19(23)20(11-3-4-12-20)18-10-7-15-25-18/h1-2,7-10,15H,3-4,11-14H2,(H,22,23).
What are the key properties of N-[4-(2-fluorophenoxy)but-2-ynyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-[4-(2-fluorophenoxy)but-2-ynyl]-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluorophenoxy)but-2-ynyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 90574572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).