N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-naphthalen-2-yloxyacetamide

C19H19NO3S — CID 121132146

IUPACN-(3-hydroxy-3-thiophen-3-ylpropyl)-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)NCCC(O)c1ccsc1
InChIInChI=1S/C19H19NO3S/c21-18(16-8-10-24-13-16)7-9-20-19(22)12-23-17-6-5-14-3-1-2-4-15(14)11-17/h1-6,8,10-11,13,18,21H,7,9,12H2,(H,20,22)
InChIKeyLVFIVURSNDNTBJ-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.52
Rot. Bonds7

About N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-naphthalen-2-yloxyacetamide

N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-naphthalen-2-yloxyacetamide (PubChem CID 121132146) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-thiophen-3-ylpropyl)-2-naphthalen-2-yloxyacetamide
PubChem CID121132146
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC NameN-(3-hydroxy-3-thiophen-3-ylpropyl)-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)NCCC(O)c1ccsc1
InChIInChI=1S/C19H19NO3S/c21-18(16-8-10-24-13-16)7-9-20-19(22)12-23-17-6-5-14-3-1-2-4-15(14)11-17/h1-6,8,10-11,13,18,21H,7,9,12H2,(H,20,22)
InChIKeyLVFIVURSNDNTBJ-UHFFFAOYSA-N
XLogP3.52
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(3-methoxyphenoxy)acetamide
CID 121132117
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-naphthalen-2-yloxyacetamide
CID 90524092
N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-phenylpropanamide
CID 121132071
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 111441664
1-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-3-(2-phenoxyethyl)urea
CID 99981776
N-(2-acetamidoethyl)-2-naphthalen-2-yloxyacetamide
CID 7942082
N-[2-[di(propan-2-yl)amino]ethyl]-2-naphthalen-2-yloxyacetamide
CID 8919238
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-2-naphthalen-2-yloxyacetamide
CID 16931923
2-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 106434312
N-(3-hydroxy-3-phenylpropyl)-2-(4-methylphenoxy)acetamide
CID 71689998
N-[2-(ethylamino)ethyl]-2-naphthalen-2-yloxyacetamide;hydrochloride
CID 119504571
N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-naphthalen-2-yloxyacetamide
CID 90497330

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-naphthalen-2-yloxyacetamide (CID 121132146) is N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-naphthalen-2-yloxyacetamide is O=C(COc1ccc2ccccc2c1)NCCC(O)c1ccsc1.
What is the InChIKey of N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-naphthalen-2-yloxyacetamide?
The InChIKey is LVFIVURSNDNTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c21-18(16-8-10-24-13-16)7-9-20-19(22)12-23-17-6-5-14-3-1-2-4-15(14)11-17/h1-6,8,10-11,13,18,21H,7,9,12H2,(H,20,22).
What are the key properties of N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-naphthalen-2-yloxyacetamide?
N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-naphthalen-2-yloxyacetamide has a molecular weight of 341.43 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 121132146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).