2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]-N-(2-methylpropyl)acetamide

C21H30N2O4S — CID 44589675

IUPAC2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]-N-(2-methylpropyl)acetamide
SMILESCOc1ccc(OCCN(CC(=O)NCC(C)C)Cc2cccs2)cc1OC
InChIInChI=1S/C21H30N2O4S/c1-16(2)13-22-21(24)15-23(14-18-6-5-11-28-18)9-10-27-17-7-8-19(25-3)20(12-17)26-4/h5-8,11-12,16H,9-10,13-15H2,1-4H3,(H,22,24)
InChIKeyDCZWPAABVCOXOF-UHFFFAOYSA-N
MW406.55 g/mol
LogP3.42
Rot. Bonds12

About 2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]-N-(2-methylpropyl)acetamide

2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]-N-(2-methylpropyl)acetamide (PubChem CID 44589675) has the molecular formula C21H30N2O4S and a molecular weight of 406.55 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]-N-(2-methylpropyl)acetamide
PubChem CID44589675
Molecular FormulaC21H30N2O4S
Molecular Weight406.55 g/mol
Exact Mass406.19
IUPAC Name2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]-N-(2-methylpropyl)acetamide
SMILESCOc1ccc(OCCN(CC(=O)NCC(C)C)Cc2cccs2)cc1OC
InChIInChI=1S/C21H30N2O4S/c1-16(2)13-22-21(24)15-23(14-18-6-5-11-28-18)9-10-27-17-7-8-19(25-3)20(12-17)26-4/h5-8,11-12,16H,9-10,13-15H2,1-4H3,(H,22,24)
InChIKeyDCZWPAABVCOXOF-UHFFFAOYSA-N
XLogP3.42
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-benzodioxol-5-yloxy)-N-(thiophen-2-ylmethyl)acetamide
CID 2392825
N-Allyl-2-(benzo[d][1,3]dioxol-5-yloxy)-N-(thiophen-2-ylmethyl)acetamide
CID 9401044
(E)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 6217808
N-benzyl-2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]acetamide
CID 44589711
N-[(2-chlorophenyl)methyl]-2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]acetamide
CID 44589750
N-benzyl-2-[3-(3,4-dimethoxyphenoxy)propyl-(thiophen-2-ylmethyl)amino]acetamide
CID 44589788
2-(2-methoxyphenoxy)-N-[2-(morpholin-4-yl)-2-(thiophen-2-yl)ethyl]acetamide
CID 18150824
3-(4-ethoxyphenoxy)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]propanamide
CID 40217747
2-(2-methoxyphenoxy)-N-((1-(thiophen-2-ylmethyl)piperidin-4-yl)methyl)acetamide
CID 16896277
2-(3-methoxyphenoxy)-N-(2-(4-methylpiperazin-1-yl)-2-(thiophen-3-yl)ethyl)acetamide
CID 16931485
2-(3-methoxyphenoxy)-N-(2-(pyrrolidin-1-yl)-2-(thiophen-3-yl)ethyl)acetamide
CID 16931622
N-(2-(dimethylamino)-2-(thiophen-2-yl)ethyl)-2-(4-methoxyphenoxy)acetamide
CID 18082613

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]-N-(2-methylpropyl)acetamide (CID 44589675) is 2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]-N-(2-methylpropyl)acetamide is COc1ccc(OCCN(CC(=O)NCC(C)C)Cc2cccs2)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]-N-(2-methylpropyl)acetamide?
The InChIKey is DCZWPAABVCOXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4S/c1-16(2)13-22-21(24)15-23(14-18-6-5-11-28-18)9-10-27-17-7-8-19(25-3)20(12-17)26-4/h5-8,11-12,16H,9-10,13-15H2,1-4H3,(H,22,24).
What are the key properties of 2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]-N-(2-methylpropyl)acetamide?
2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]-N-(2-methylpropyl)acetamide has a molecular weight of 406.55 g/mol, XLogP of 3.42, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 44589675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).