2-(3-methylphenoxy)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)acetamide

C20H26N2O2S — CID 16931343

IUPAC2-(3-methylphenoxy)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)acetamide
SMILESCc1cccc(OCC(=O)NCC(c2ccsc2)N2CCCCC2)c1
InChIInChI=1S/C20H26N2O2S/c1-16-6-5-7-18(12-16)24-14-20(23)21-13-19(17-8-11-25-15-17)22-9-3-2-4-10-22/h5-8,11-12,15,19H,2-4,9-10,13-14H2,1H3,(H,21,23)
InChIKeyPTQLAWBSBYURSP-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.78
Rot. Bonds7

About 2-(3-methylphenoxy)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)acetamide

2-(3-methylphenoxy)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)acetamide (PubChem CID 16931343) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)acetamide
PubChem CID16931343
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name2-(3-methylphenoxy)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)acetamide
SMILESCc1cccc(OCC(=O)NCC(c2ccsc2)N2CCCCC2)c1
InChIInChI=1S/C20H26N2O2S/c1-16-6-5-7-18(12-16)24-14-20(23)21-13-19(17-8-11-25-15-17)22-9-3-2-4-10-22/h5-8,11-12,15,19H,2-4,9-10,13-14H2,1H3,(H,21,23)
InChIKeyPTQLAWBSBYURSP-UHFFFAOYSA-N
XLogP3.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-methylphenoxy)acetamide
CID 16931891
2-(3-methylphenoxy)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride
CID 52985221
2-(4-methoxyphenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide
CID 16931623
2-(3-methoxyphenoxy)-N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
CID 51589874
N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-fluorophenoxy)acetamide
CID 40847718
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(3-methylphenoxy)acetamide
CID 16931206
2-(3-chlorophenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
CID 17011545
2-(2-fluorophenoxy)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)acetamide
CID 16931345
N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)propanamide
CID 16931322
N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide
CID 35126659
N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide
CID 17012003
2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide
CID 16931619

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)acetamide (CID 16931343) is 2-(3-methylphenoxy)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)acetamide is Cc1cccc(OCC(=O)NCC(c2ccsc2)N2CCCCC2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)acetamide?
The InChIKey is PTQLAWBSBYURSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-16-6-5-7-18(12-16)24-14-20(23)21-13-19(17-8-11-25-15-17)22-9-3-2-4-10-22/h5-8,11-12,15,19H,2-4,9-10,13-14H2,1H3,(H,21,23).
What are the key properties of 2-(3-methylphenoxy)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)acetamide?
2-(3-methylphenoxy)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)acetamide has a molecular weight of 358.51 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)acetamide is sourced from PubChem (CID 16931343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).