N-(3-methoxyphenyl)-2-[methyl(2-methylsulfanylethyl)amino]acetamide

C13H20N2O2S — CID 78815657

IUPACN-(3-methoxyphenyl)-2-[methyl(2-methylsulfanylethyl)amino]acetamide
SMILESCOc1cccc(NC(=O)CN(C)CCSC)c1
InChIInChI=1S/C13H20N2O2S/c1-15(7-8-18-3)10-13(16)14-11-5-4-6-12(9-11)17-2/h4-6,9H,7-8,10H2,1-3H3,(H,14,16)
InChIKeyWGHIMWKDBCBFBK-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.93
Rot. Bonds7

About N-(3-methoxyphenyl)-2-[methyl(2-methylsulfanylethyl)amino]acetamide

N-(3-methoxyphenyl)-2-[methyl(2-methylsulfanylethyl)amino]acetamide (PubChem CID 78815657) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[methyl(2-methylsulfanylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[methyl(2-methylsulfanylethyl)amino]acetamide
PubChem CID78815657
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-(3-methoxyphenyl)-2-[methyl(2-methylsulfanylethyl)amino]acetamide
SMILESCOc1cccc(NC(=O)CN(C)CCSC)c1
InChIInChI=1S/C13H20N2O2S/c1-15(7-8-18-3)10-13(16)14-11-5-4-6-12(9-11)17-2/h4-6,9H,7-8,10H2,1-3H3,(H,14,16)
InChIKeyWGHIMWKDBCBFBK-UHFFFAOYSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 38300605
N-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl-methylamino]acetamide
CID 8555397
N-(3-methoxyphenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 8555015
2-[methyl(2-methylsulfanylethyl)amino]-N-phenylacetamide
CID 78862578
2-[[2-(3,4-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198587
2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9288795
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
2-[[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8555605
2-[(3-fluorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8909173
2-[[2-(3-bromo-4-methylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198492
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8007102
N-(3-methoxyphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464513

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[methyl(2-methylsulfanylethyl)amino]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[methyl(2-methylsulfanylethyl)amino]acetamide (CID 78815657) is N-(3-methoxyphenyl)-2-[methyl(2-methylsulfanylethyl)amino]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[methyl(2-methylsulfanylethyl)amino]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[methyl(2-methylsulfanylethyl)amino]acetamide is COc1cccc(NC(=O)CN(C)CCSC)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[methyl(2-methylsulfanylethyl)amino]acetamide?
The InChIKey is WGHIMWKDBCBFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-15(7-8-18-3)10-13(16)14-11-5-4-6-12(9-11)17-2/h4-6,9H,7-8,10H2,1-3H3,(H,14,16).
What are the key properties of N-(3-methoxyphenyl)-2-[methyl(2-methylsulfanylethyl)amino]acetamide?
N-(3-methoxyphenyl)-2-[methyl(2-methylsulfanylethyl)amino]acetamide has a molecular weight of 268.38 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[methyl(2-methylsulfanylethyl)amino]acetamide is sourced from PubChem (CID 78815657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).