N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-2-thiophen-2-ylacetamide

C18H21NO2S — CID 113101560

IUPACN-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCOc1ccc2c(c1)CCCC2
InChIInChI=1S/C18H21NO2S/c20-18(13-17-6-3-11-22-17)19-9-10-21-16-8-7-14-4-1-2-5-15(14)12-16/h3,6-8,11-12H,1-2,4-5,9-10,13H2,(H,19,20)
InChIKeyABBCCZRLGGMQAR-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.36
Rot. Bonds6

About N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-2-thiophen-2-ylacetamide

N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 113101560) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-2-thiophen-2-ylacetamide
PubChem CID113101560
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCOc1ccc2c(c1)CCCC2
InChIInChI=1S/C18H21NO2S/c20-18(13-17-6-3-11-22-17)19-9-10-21-16-8-7-14-4-1-2-5-15(14)12-16/h3,6-8,11-12H,1-2,4-5,9-10,13H2,(H,19,20)
InChIKeyABBCCZRLGGMQAR-UHFFFAOYSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 27770063
2-(4-chlorophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101563
2-(4-bromophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101586
2-(2-methylphenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101580
N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-thiophen-2-ylacetamide
CID 113102045
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide
CID 113101532
3-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide
CID 113101536
3-phenyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide
CID 113101565
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
2-(4-methylphenoxy)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101573
N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 99779947
2-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzamide
CID 113101544

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-2-thiophen-2-ylacetamide (CID 113101560) is N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCCOc1ccc2c(c1)CCCC2.
What is the InChIKey of N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is ABBCCZRLGGMQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c20-18(13-17-6-3-11-22-17)19-9-10-21-16-8-7-14-4-1-2-5-15(14)12-16/h3,6-8,11-12H,1-2,4-5,9-10,13H2,(H,19,20).
What are the key properties of N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-2-thiophen-2-ylacetamide?
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 315.44 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113101560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).