N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-methoxyphenoxy)acetamide

C17H22N2O3S — CID 18082613

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NCC(c2cccs2)N(C)C)cc1
InChIInChI=1S/C17H22N2O3S/c1-19(2)15(16-5-4-10-23-16)11-18-17(20)12-22-14-8-6-13(21-3)7-9-14/h4-10,15H,11-12H2,1-3H3,(H,18,20)
InChIKeyGSBAVAJAWYZFCW-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.55
Rot. Bonds8

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-methoxyphenoxy)acetamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-methoxyphenoxy)acetamide (PubChem CID 18082613) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-methoxyphenoxy)acetamide
PubChem CID18082613
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NCC(c2cccs2)N(C)C)cc1
InChIInChI=1S/C17H22N2O3S/c1-19(2)15(16-5-4-10-23-16)11-18-17(20)12-22-14-8-6-13(21-3)7-9-14/h4-10,15H,11-12H2,1-3H3,(H,18,20)
InChIKeyGSBAVAJAWYZFCW-UHFFFAOYSA-N
XLogP2.55
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-methoxyphenoxy)acetamide (CID 18082613) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)NCC(c2cccs2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is GSBAVAJAWYZFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-19(2)15(16-5-4-10-23-16)11-18-17(20)12-22-14-8-6-13(21-3)7-9-14/h4-10,15H,11-12H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-methoxyphenoxy)acetamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 334.44 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 18082613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).