N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide

C15H14Cl2N2O2S — CID 2458719

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cc1ccsc1
InChIInChI=1S/C15H14Cl2N2O2S/c1-19(14(21)7-10-5-6-22-9-10)8-13(20)18-15-11(16)3-2-4-12(15)17/h2-6,9H,7-8H2,1H3,(H,18,20)
InChIKeyNYBCLXMUQLVXPB-UHFFFAOYSA-N
MW357.26 g/mol
LogP3.69
Rot. Bonds5

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide (PubChem CID 2458719) has the molecular formula C15H14Cl2N2O2S and a molecular weight of 357.26 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide
PubChem CID2458719
Molecular FormulaC15H14Cl2N2O2S
Molecular Weight357.26 g/mol
Exact Mass356.02
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cc1ccsc1
InChIInChI=1S/C15H14Cl2N2O2S/c1-19(14(21)7-10-5-6-22-9-10)8-13(20)18-15-11(16)3-2-4-12(15)17/h2-6,9H,7-8H2,1H3,(H,18,20)
InChIKeyNYBCLXMUQLVXPB-UHFFFAOYSA-N
XLogP3.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.26
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide (CID 2458719) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide is CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cc1ccsc1.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide?
The InChIKey is NYBCLXMUQLVXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2S/c1-19(14(21)7-10-5-6-22-9-10)8-13(20)18-15-11(16)3-2-4-12(15)17/h2-6,9H,7-8H2,1H3,(H,18,20).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide has a molecular weight of 357.26 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide is sourced from PubChem (CID 2458719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).