N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

C22H22FN3O2S — CID 90516199

IUPACN-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NCCn1cnc(-c2ccc(F)cc2)cc1=O)C1(c2cccs2)CCCC1
InChIInChI=1S/C22H22FN3O2S/c23-17-7-5-16(6-8-17)18-14-20(27)26(15-25-18)12-11-24-21(28)22(9-1-2-10-22)19-4-3-13-29-19/h3-8,13-15H,1-2,9-12H2,(H,24,28)
InChIKeyBOYDVMGHARBGOP-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.74
Rot. Bonds6

About N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 90516199) has the molecular formula C22H22FN3O2S and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID90516199
Molecular FormulaC22H22FN3O2S
Molecular Weight411.50 g/mol
Exact Mass411.14
IUPAC NameN-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NCCn1cnc(-c2ccc(F)cc2)cc1=O)C1(c2cccs2)CCCC1
InChIInChI=1S/C22H22FN3O2S/c23-17-7-5-16(6-8-17)18-14-20(27)26(15-25-18)12-11-24-21(28)22(9-1-2-10-22)19-4-3-13-29-19/h3-8,13-15H,1-2,9-12H2,(H,24,28)
InChIKeyBOYDVMGHARBGOP-UHFFFAOYSA-N
XLogP3.74
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-phenyloxane-4-carboxamide
CID 90516201
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90516229
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 90516278
2-cyclohexyl-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90516017
2-(4-bromophenyl)-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90516071
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-3,5-dimethylbenzamide
CID 90516106
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-3,4-dimethylbenzamide
CID 90516097
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90516282
2-(4-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90515745
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168298
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-methylphenoxy)acetamide
CID 90516244
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-3,5-dimethoxybenzamide
CID 90516111

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 90516199) is N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is O=C(NCCn1cnc(-c2ccc(F)cc2)cc1=O)C1(c2cccs2)CCCC1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is BOYDVMGHARBGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2S/c23-17-7-5-16(6-8-17)18-14-20(27)26(15-25-18)12-11-24-21(28)22(9-1-2-10-22)19-4-3-13-29-19/h3-8,13-15H,1-2,9-12H2,(H,24,28).
What are the key properties of N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 411.50 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 90516199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).