N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide

C17H22N2O2S — CID 26512951

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCOc1ccc(CCNC(=O)CN(C)Cc2cccs2)cc1
InChIInChI=1S/C17H22N2O2S/c1-19(12-16-4-3-11-22-16)13-17(20)18-10-9-14-5-7-15(21-2)8-6-14/h3-8,11H,9-10,12-13H2,1-2H3,(H,18,20)
InChIKeyVZAXJBQHQRAGBP-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.55
Rot. Bonds8

About N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide

N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 26512951) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
PubChem CID26512951
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCOc1ccc(CCNC(=O)CN(C)Cc2cccs2)cc1
InChIInChI=1S/C17H22N2O2S/c1-19(12-16-4-3-11-22-16)13-17(20)18-10-9-14-5-7-15(21-2)8-6-14/h3-8,11H,9-10,12-13H2,1-2H3,(H,18,20)
InChIKeyVZAXJBQHQRAGBP-UHFFFAOYSA-N
XLogP2.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761409
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 27081744
2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 26512391
N-[2-(4-methoxyphenyl)ethyl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 26510312
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-thiophen-2-ylethyl)acetamide
CID 8540690
N-[2-(4-fluorophenyl)ethyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 18088830
2-[[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide
CID 8790102
4-[[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9003189
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 8801666
N-[(4-methylphenyl)methyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 26512957
N-[2-(4-methoxyphenyl)ethyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 29221650
methyl 4-[methyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]butanoate
CID 62012890

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide (CID 26512951) is N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide is COc1ccc(CCNC(=O)CN(C)Cc2cccs2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is VZAXJBQHQRAGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-19(12-16-4-3-11-22-16)13-17(20)18-10-9-14-5-7-15(21-2)8-6-14/h3-8,11H,9-10,12-13H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 318.44 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 26512951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).