2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

C22H28N2OS — CID 55591034

IUPAC2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CN(Cc1cccs1)C1CC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H28N2OS/c1-16(18-9-8-17-5-2-3-6-19(17)13-18)23-22(25)15-24(20-10-11-20)14-21-7-4-12-26-21/h4,7-9,12-13,16,20H,2-3,5-6,10-11,14-15H2,1H3,(H,23,25)
InChIKeyUPCOQNZMSHMGMJ-UHFFFAOYSA-N
MW368.55 g/mol
LogP4.47
Rot. Bonds7

About 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide (PubChem CID 55591034) has the molecular formula C22H28N2OS and a molecular weight of 368.55 g/mol. Its IUPAC name is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
PubChem CID55591034
Molecular FormulaC22H28N2OS
Molecular Weight368.55 g/mol
Exact Mass368.19
IUPAC Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CN(Cc1cccs1)C1CC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H28N2OS/c1-16(18-9-8-17-5-2-3-6-19(17)13-18)23-22(25)15-24(20-10-11-20)14-21-7-4-12-26-21/h4,7-9,12-13,16,20H,2-3,5-6,10-11,14-15H2,1H3,(H,23,25)
InChIKeyUPCOQNZMSHMGMJ-UHFFFAOYSA-N
XLogP4.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 99779947
1-(oxolan-2-ylmethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-(thiophen-2-ylmethyl)urea
CID 55769075
[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl] thiophene-2-carboxylate
CID 8868827
1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one
CID 62029716
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide
CID 42951116
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]acetamide
CID 18144877
N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-2-thiophen-2-ylacetamide
CID 99779945
2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 95143146
2-(4-methylpiperidin-1-yl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 8558028
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
CID 60967061
[2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl] 3-acetamido-3-thiophen-2-ylpropanoate
CID 46514147
2-pyrrolidin-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 61364244

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide (CID 55591034) is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide is CC(NC(=O)CN(Cc1cccs1)C1CC1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The InChIKey is UPCOQNZMSHMGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2OS/c1-16(18-9-8-17-5-2-3-6-19(17)13-18)23-22(25)15-24(20-10-11-20)14-21-7-4-12-26-21/h4,7-9,12-13,16,20H,2-3,5-6,10-11,14-15H2,1H3,(H,23,25).
What are the key properties of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide has a molecular weight of 368.55 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide is sourced from PubChem (CID 55591034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).