N-[2-(2-phenylpyrimidin-5-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

C22H23N3OS — CID 91813402

IUPACN-[2-(2-phenylpyrimidin-5-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NCCc1cnc(-c2ccccc2)nc1)C1(c2cccs2)CCCC1
InChIInChI=1S/C22H23N3OS/c26-21(22(11-4-5-12-22)19-9-6-14-27-19)23-13-10-17-15-24-20(25-16-17)18-7-2-1-3-8-18/h1-3,6-9,14-16H,4-5,10-13H2,(H,23,26)
InChIKeyUBGDBLDQVZHSKJ-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.38
Rot. Bonds6

About N-[2-(2-phenylpyrimidin-5-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

N-[2-(2-phenylpyrimidin-5-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 91813402) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is N-[2-(2-phenylpyrimidin-5-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-phenylpyrimidin-5-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID91813402
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC NameN-[2-(2-phenylpyrimidin-5-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NCCc1cnc(-c2ccccc2)nc1)C1(c2cccs2)CCCC1
InChIInChI=1S/C22H23N3OS/c26-21(22(11-4-5-12-22)19-9-6-14-27-19)23-13-10-17-15-24-20(25-16-17)18-7-2-1-3-8-18/h1-3,6-9,14-16H,4-5,10-13H2,(H,23,26)
InChIKeyUBGDBLDQVZHSKJ-UHFFFAOYSA-N
XLogP4.38
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide;hydrochloride
CID 119548840
4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]oxane-4-carboxamide
CID 91813405
N-(3-hydroxy-3-phenylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 71782253
N-[(3R)-3-hydroxy-3-phenylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 97038575
6-[(1-thiophen-2-ylcyclohexanecarbonyl)amino]hexanoic acid
CID 119220064
N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 121019439
5-[[(1-thiophen-2-ylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid
CID 119246078
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 71782161
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 90516199
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 90581131
4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide
CID 91813375
N-(2-amino-2-ethylbutyl)-1-thiophen-2-ylcyclohexane-1-carboxamide
CID 119642271

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenylpyrimidin-5-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[2-(2-phenylpyrimidin-5-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 91813402) is N-[2-(2-phenylpyrimidin-5-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(2-phenylpyrimidin-5-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(2-phenylpyrimidin-5-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is O=C(NCCc1cnc(-c2ccccc2)nc1)C1(c2cccs2)CCCC1.
What is the InChIKey of N-[2-(2-phenylpyrimidin-5-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is UBGDBLDQVZHSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS/c26-21(22(11-4-5-12-22)19-9-6-14-27-19)23-13-10-17-15-24-20(25-16-17)18-7-2-1-3-8-18/h1-3,6-9,14-16H,4-5,10-13H2,(H,23,26).
What are the key properties of N-[2-(2-phenylpyrimidin-5-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-[2-(2-phenylpyrimidin-5-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 377.51 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenylpyrimidin-5-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 91813402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).