2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide

C16H20N2O2S — CID 115286550

IUPAC2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc(OCCN(C)C(=O)C(N)c2cccs2)cc1
InChIInChI=1S/C16H20N2O2S/c1-12-5-7-13(8-6-12)20-10-9-18(2)16(19)15(17)14-4-3-11-21-14/h3-8,11,15H,9-10,17H2,1-2H3
InChIKeyYLMZYQPKEWPLRJ-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.59
Rot. Bonds6

About 2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide

2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 115286550) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide
PubChem CID115286550
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc(OCCN(C)C(=O)C(N)c2cccs2)cc1
InChIInChI=1S/C16H20N2O2S/c1-12-5-7-13(8-6-12)20-10-9-18(2)16(19)15(17)14-4-3-11-21-14/h3-8,11,15H,9-10,17H2,1-2H3
InChIKeyYLMZYQPKEWPLRJ-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide
CID 115286553
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 54869918
2-amino-N-[2-(dimethylamino)ethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 115287286
2-amino-N-methyl-N-[2-(methylamino)ethyl]-2-thiophen-2-ylacetamide
CID 115287330
3-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine
CID 84753072
3-amino-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide
CID 119695394
N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 86916962
2-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 115287016
2-[(2-amino-2-thiophen-2-ylacetyl)-methylamino]acetic acid
CID 115286833
N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178
2-amino-N-methyl-N-(2-pyridin-2-ylethyl)-2-thiophen-2-ylacetamide
CID 115285974
N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]pentanamide
CID 86909753

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide (CID 115286550) is 2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide is Cc1ccc(OCCN(C)C(=O)C(N)c2cccs2)cc1.
What is the InChIKey of 2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is YLMZYQPKEWPLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12-5-7-13(8-6-12)20-10-9-18(2)16(19)15(17)14-4-3-11-21-14/h3-8,11,15H,9-10,17H2,1-2H3.
What are the key properties of 2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide?
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 304.42 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 115286550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).