N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide

C17H22N2O2S — CID 4827045

IUPACN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(C(CNC(=O)Cc2cccs2)N(C)C)cc1
InChIInChI=1S/C17H22N2O2S/c1-19(2)16(13-6-8-14(21-3)9-7-13)12-18-17(20)11-15-5-4-10-22-15/h4-10,16H,11-12H2,1-3H3,(H,18,20)
InChIKeyMDOIHAUZDJOBBD-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.72
Rot. Bonds7

About N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 4827045) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID4827045
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(C(CNC(=O)Cc2cccs2)N(C)C)cc1
InChIInChI=1S/C17H22N2O2S/c1-19(2)16(13-6-8-14(21-3)9-7-13)12-18-17(20)11-15-5-4-10-22-15/h4-10,16H,11-12H2,1-3H3,(H,18,20)
InChIKeyMDOIHAUZDJOBBD-UHFFFAOYSA-N
XLogP2.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide (CID 4827045) is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide is COc1ccc(C(CNC(=O)Cc2cccs2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is MDOIHAUZDJOBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-19(2)16(13-6-8-14(21-3)9-7-13)12-18-17(20)11-15-5-4-10-22-15/h4-10,16H,11-12H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide?
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 318.44 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 4827045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).