N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2-thiophen-2-ylacetamide

C18H22N2O2S — CID 25161849

IUPACN-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2-thiophen-2-ylacetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)Cc1cccs1
InChIInChI=1S/C18H22N2O2S/c1-3-10-20(18(22)12-15-8-6-11-23-15)13-17(21)19-16-9-5-4-7-14(16)2/h4-9,11H,3,10,12-13H2,1-2H3,(H,19,21)
InChIKeyROUHJURWDFEXOS-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.48
Rot. Bonds7

About N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2-thiophen-2-ylacetamide

N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2-thiophen-2-ylacetamide (PubChem CID 25161849) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2-thiophen-2-ylacetamide
PubChem CID25161849
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2-thiophen-2-ylacetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)Cc1cccs1
InChIInChI=1S/C18H22N2O2S/c1-3-10-20(18(22)12-15-8-6-11-23-15)13-17(21)19-16-9-5-4-7-14(16)2/h4-9,11H,3,10,12-13H2,1-2H3,(H,19,21)
InChIKeyROUHJURWDFEXOS-UHFFFAOYSA-N
XLogP3.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2-thiophen-2-ylacetamide (CID 25161849) is N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2-thiophen-2-ylacetamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)Cc1cccs1.
What is the InChIKey of N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2-thiophen-2-ylacetamide?
The InChIKey is ROUHJURWDFEXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-3-10-20(18(22)12-15-8-6-11-23-15)13-17(21)19-16-9-5-4-7-14(16)2/h4-9,11H,3,10,12-13H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2-thiophen-2-ylacetamide?
N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2-thiophen-2-ylacetamide has a molecular weight of 330.45 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 25161849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).