N-(3-hydroxy-3-phenylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide

C19H23NO2S — CID 71782253

IUPACN-(3-hydroxy-3-phenylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NCCC(O)c1ccccc1)C1(c2cccs2)CCCC1
InChIInChI=1S/C19H23NO2S/c21-16(15-7-2-1-3-8-15)10-13-20-18(22)19(11-4-5-12-19)17-9-6-14-23-17/h1-3,6-9,14,16,21H,4-5,10-13H2,(H,20,22)
InChIKeyWNSSSULHHIGIGG-UHFFFAOYSA-N
MW329.46 g/mol
LogP3.80
Rot. Bonds6

About N-(3-hydroxy-3-phenylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide

N-(3-hydroxy-3-phenylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 71782253) has the molecular formula C19H23NO2S and a molecular weight of 329.46 g/mol. Its IUPAC name is N-(3-hydroxy-3-phenylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-phenylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID71782253
Molecular FormulaC19H23NO2S
Molecular Weight329.46 g/mol
Exact Mass329.14
IUPAC NameN-(3-hydroxy-3-phenylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NCCC(O)c1ccccc1)C1(c2cccs2)CCCC1
InChIInChI=1S/C19H23NO2S/c21-16(15-7-2-1-3-8-15)10-13-20-18(22)19(11-4-5-12-19)17-9-6-14-23-17/h1-3,6-9,14,16,21H,4-5,10-13H2,(H,20,22)
InChIKeyWNSSSULHHIGIGG-UHFFFAOYSA-N
XLogP3.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-3-hydroxy-3-phenylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 97038575
N-[3-(furan-2-yl)-3-hydroxypropyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 90523795
6-[(1-thiophen-2-ylcyclohexanecarbonyl)amino]hexanoic acid
CID 119220064
N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 95986644
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 121133140
N-[2-(2-phenylpyrimidin-5-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 91813402
N-[(3R)-3-hydroxy-3-phenylpropyl]-4-phenyloxane-4-carboxamide
CID 96568311
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 90581131
N-[2-(4-aminophenyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide;hydrochloride
CID 119548840
1-[(3S)-3-hydroxy-3-phenylpropyl]-3-(thiophen-2-ylmethyl)urea
CID 96566343
1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(thiophen-2-ylmethyl)urea
CID 96566342
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 71782161

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-phenylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-(3-hydroxy-3-phenylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 71782253) is N-(3-hydroxy-3-phenylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-hydroxy-3-phenylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-(3-hydroxy-3-phenylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide is O=C(NCCC(O)c1ccccc1)C1(c2cccs2)CCCC1.
What is the InChIKey of N-(3-hydroxy-3-phenylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is WNSSSULHHIGIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c21-16(15-7-2-1-3-8-15)10-13-20-18(22)19(11-4-5-12-19)17-9-6-14-23-17/h1-3,6-9,14,16,21H,4-5,10-13H2,(H,20,22).
What are the key properties of N-(3-hydroxy-3-phenylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-(3-hydroxy-3-phenylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 329.46 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-phenylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 71782253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).