2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-pentan-2-ylacetamide

C20H28N2O2S — CID 46614580

IUPAC2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN(Cc1cccs1)Cc1ccccc1OC
InChIInChI=1S/C20H28N2O2S/c1-4-8-16(2)21-20(23)15-22(14-18-10-7-12-25-18)13-17-9-5-6-11-19(17)24-3/h5-7,9-12,16H,4,8,13-15H2,1-3H3,(H,21,23)
InChIKeyVYSFZHJIOCURIM-UHFFFAOYSA-N
MW360.52 g/mol
LogP4.06
Rot. Bonds10

About 2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-pentan-2-ylacetamide

2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-pentan-2-ylacetamide (PubChem CID 46614580) has the molecular formula C20H28N2O2S and a molecular weight of 360.52 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-pentan-2-ylacetamide
PubChem CID46614580
Molecular FormulaC20H28N2O2S
Molecular Weight360.52 g/mol
Exact Mass360.19
IUPAC Name2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN(Cc1cccs1)Cc1ccccc1OC
InChIInChI=1S/C20H28N2O2S/c1-4-8-16(2)21-20(23)15-22(14-18-10-7-12-25-18)13-17-9-5-6-11-19(17)24-3/h5-7,9-12,16H,4,8,13-15H2,1-3H3,(H,21,23)
InChIKeyVYSFZHJIOCURIM-UHFFFAOYSA-N
XLogP4.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-prop-2-enylacetamide
CID 31480086
N-(2-iodophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 31480058
N-(3-acetamidophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 78788084
2-[ethyl(thiophen-2-ylmethyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 41375506
N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 112795029
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 31480214
N-(2-methoxy-4-nitrophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 31480038
N-[3-(dimethylsulfamoyl)phenyl]-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 31479938
N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 46650156
2-ethyl-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)butanamide
CID 112795027
N-[(2-methoxyphenyl)methyl]-2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 129255543
2-[ethyl(thiophen-2-ylmethyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 86909948

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-pentan-2-ylacetamide (CID 46614580) is 2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CN(Cc1cccs1)Cc1ccccc1OC.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-pentan-2-ylacetamide?
The InChIKey is VYSFZHJIOCURIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2S/c1-4-8-16(2)21-20(23)15-22(14-18-10-7-12-25-18)13-17-9-5-6-11-19(17)24-3/h5-7,9-12,16H,4,8,13-15H2,1-3H3,(H,21,23).
What are the key properties of 2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-pentan-2-ylacetamide?
2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-pentan-2-ylacetamide has a molecular weight of 360.52 g/mol, XLogP of 4.06, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-pentan-2-ylacetamide is sourced from PubChem (CID 46614580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).