2-amino-N-(2-methoxyethyl)-6-methyl-N-(thiophen-2-ylmethyl)benzamide

C16H20N2O2S — CID 61112230

IUPAC2-amino-N-(2-methoxyethyl)-6-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCOCCN(Cc1cccs1)C(=O)c1c(C)cccc1N
InChIInChI=1S/C16H20N2O2S/c1-12-5-3-7-14(17)15(12)16(19)18(8-9-20-2)11-13-6-4-10-21-13/h3-7,10H,8-9,11,17H2,1-2H3
InChIKeyVKCJHZURLPQXQU-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.93
Rot. Bonds6

About 2-amino-N-(2-methoxyethyl)-6-methyl-N-(thiophen-2-ylmethyl)benzamide

2-amino-N-(2-methoxyethyl)-6-methyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 61112230) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-amino-N-(2-methoxyethyl)-6-methyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(2-methoxyethyl)-6-methyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID61112230
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name2-amino-N-(2-methoxyethyl)-6-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCOCCN(Cc1cccs1)C(=O)c1c(C)cccc1N
InChIInChI=1S/C16H20N2O2S/c1-12-5-3-7-14(17)15(12)16(19)18(8-9-20-2)11-13-6-4-10-21-13/h3-7,10H,8-9,11,17H2,1-2H3
InChIKeyVKCJHZURLPQXQU-UHFFFAOYSA-N
XLogP2.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60940281
3-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79460854
2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 61113367
4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 61113371
4-(2-amino-2-oxoethoxy)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 50983664
4-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55204256
2-amino-N-(2-methoxyethyl)-4-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 54869709
N-benzyl-2-[(2,3-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3984327
4-bromo-N-(2-methoxyethyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 60700789
1-(2-methoxyethyl)-3-(4-sulfamoylphenyl)-1-(thiophen-2-ylmethyl)urea
CID 17469327
2-amino-N-ethyl-6-methyl-N-propylbenzamide
CID 43268247
5-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965242

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methoxyethyl)-6-methyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 2-amino-N-(2-methoxyethyl)-6-methyl-N-(thiophen-2-ylmethyl)benzamide (CID 61112230) is 2-amino-N-(2-methoxyethyl)-6-methyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-N-(2-methoxyethyl)-6-methyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 2-amino-N-(2-methoxyethyl)-6-methyl-N-(thiophen-2-ylmethyl)benzamide is COCCN(Cc1cccs1)C(=O)c1c(C)cccc1N.
What is the InChIKey of 2-amino-N-(2-methoxyethyl)-6-methyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is VKCJHZURLPQXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12-5-3-7-14(17)15(12)16(19)18(8-9-20-2)11-13-6-4-10-21-13/h3-7,10H,8-9,11,17H2,1-2H3.
What are the key properties of 2-amino-N-(2-methoxyethyl)-6-methyl-N-(thiophen-2-ylmethyl)benzamide?
2-amino-N-(2-methoxyethyl)-6-methyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 304.42 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methoxyethyl)-6-methyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 61112230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).