N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-thiophen-2-ylacetamide

C18H21NOS — CID 99779947

IUPACN-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESC[C@@H](NC(=O)Cc1cccs1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H21NOS/c1-13(19-18(20)12-17-7-4-10-21-17)15-9-8-14-5-2-3-6-16(14)11-15/h4,7-11,13H,2-3,5-6,12H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyZQKOLMSZSKLIGS-CYBMUJFWSA-N
MW299.44 g/mol
LogP4.05
Rot. Bonds4

About N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-thiophen-2-ylacetamide

N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 99779947) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID99779947
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC NameN-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESC[C@@H](NC(=O)Cc1cccs1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H21NOS/c1-13(19-18(20)12-17-7-4-10-21-17)15-9-8-14-5-2-3-6-16(14)11-15/h4,7-11,13H,2-3,5-6,12H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyZQKOLMSZSKLIGS-CYBMUJFWSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-2-thiophen-2-ylacetamide
CID 99779945
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 55591034
[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl] thiophene-2-carboxylate
CID 8868827
2-(4-methylphenyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 127120578
N-[1-(4-bromophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 42999115
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 2971097
N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 71972333
N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 94487638
[2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl] 3-acetamido-3-thiophen-2-ylpropanoate
CID 46514147
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 47008758
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 99933130
2-(2-nitrophenyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 26419609

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-thiophen-2-ylacetamide (CID 99779947) is N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-thiophen-2-ylacetamide is C[C@@H](NC(=O)Cc1cccs1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is ZQKOLMSZSKLIGS-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21NOS/c1-13(19-18(20)12-17-7-4-10-21-17)15-9-8-14-5-2-3-6-16(14)11-15/h4,7-11,13H,2-3,5-6,12H2,1H3,(H,19,20)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-thiophen-2-ylacetamide?
N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 299.44 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 99779947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).