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

C15H14Cl2N2O2S — CID 2472556

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-2-ylacetamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cc1cccs1
InChIInChI=1S/C15H14Cl2N2O2S/c1-19(14(21)8-10-4-3-7-22-10)9-13(20)18-15-11(16)5-2-6-12(15)17/h2-7H,8-9H2,1H3,(H,18,20)
InChIKeySURMNNUWQAFWJK-UHFFFAOYSA-N
MW357.26 g/mol
LogP3.69
Rot. Bonds5

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

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-2-ylacetamide (PubChem CID 2472556) 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-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-2-ylacetamide
PubChem CID2472556
Molecular FormulaC15H14Cl2N2O2S
Molecular Weight357.26 g/mol
Exact Mass356.02
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-2-ylacetamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cc1cccs1
InChIInChI=1S/C15H14Cl2N2O2S/c1-19(14(21)8-10-4-3-7-22-10)9-13(20)18-15-11(16)5-2-6-12(15)17/h2-7H,8-9H2,1H3,(H,18,20)
InChIKeySURMNNUWQAFWJK-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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Related Compounds

N-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 4882299
N-(2-chloro-4-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 4852470
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]thiophene-2-carboxamide
CID 2194976
N-(3,5-dichlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 2555867
N-(3,5-dichlorophenyl)-2-(thiophen-2-ylmethylamino)propanamide
CID 4596210
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-ethyl-N,5-dimethylthiophene-2-carboxamide
CID 9522816
N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 24979373
N-(2,6-dichlorophenyl)[1-(2-thienylcarbonyl)(4-piperidyl)]carboxamide
CID 1075429
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-thiophen-2-ylacetamide
CID 25162825
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 25695340
Pyrrolidine-1,2-dicarboxylic acid 1-[(2-chloro-phenyl)-amide] 2-[(thiophen-2-ylmethyl)-amide]
CID 3230285
N-(2-chlorophenyl)-2-[1-methyl-4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide chloride
CID 9551900

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-2-ylacetamide (CID 2472556) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-2-ylacetamide is CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cc1cccs1.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-2-ylacetamide?
The InChIKey is SURMNNUWQAFWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2S/c1-19(14(21)8-10-4-3-7-22-10)9-13(20)18-15-11(16)5-2-6-12(15)17/h2-7H,8-9H2,1H3,(H,18,20).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-2-ylacetamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-2-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-2-ylacetamide is sourced from PubChem (CID 2472556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).