N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide

C19H24N2O4S — CID 4785346

IUPACN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)Cc2ccsc2)cc1OCC
InChIInChI=1S/C19H24N2O4S/c1-4-24-16-7-6-15(11-17(16)25-5-2)20-18(22)12-21(3)19(23)10-14-8-9-26-13-14/h6-9,11,13H,4-5,10,12H2,1-3H3,(H,20,22)
InChIKeyVQHUKWCQNWSWHK-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.19
Rot. Bonds9

About N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide

N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide (PubChem CID 4785346) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide
PubChem CID4785346
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)Cc2ccsc2)cc1OCC
InChIInChI=1S/C19H24N2O4S/c1-4-24-16-7-6-15(11-17(16)25-5-2)20-18(22)12-21(3)19(23)10-14-8-9-26-13-14/h6-9,11,13H,4-5,10,12H2,1-3H3,(H,20,22)
InChIKeyVQHUKWCQNWSWHK-UHFFFAOYSA-N
XLogP3.19
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide?
The IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide (CID 4785346) is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide is CCOc1ccc(NC(=O)CN(C)C(=O)Cc2ccsc2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide?
The InChIKey is VQHUKWCQNWSWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-4-24-16-7-6-15(11-17(16)25-5-2)20-18(22)12-21(3)19(23)10-14-8-9-26-13-14/h6-9,11,13H,4-5,10,12H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide?
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide has a molecular weight of 376.48 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide is sourced from PubChem (CID 4785346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).