N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-phenylthiophene-2-carboxamide

C21H18Cl2N2O2S — CID 112802848

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-phenylthiophene-2-carboxamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C21H18Cl2N2O2S/c1-2-25(13-18(26)24-19-16(22)9-6-10-17(19)23)21(27)20-15(11-12-28-20)14-7-4-3-5-8-14/h3-12H,2,13H2,1H3,(H,24,26)
InChIKeyVKRJQKVAJJTIJO-UHFFFAOYSA-N
MW433.36 g/mol
LogP5.82
Rot. Bonds6

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-phenylthiophene-2-carboxamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-phenylthiophene-2-carboxamide (PubChem CID 112802848) has the molecular formula C21H18Cl2N2O2S and a molecular weight of 433.36 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-phenylthiophene-2-carboxamide
PubChem CID112802848
Molecular FormulaC21H18Cl2N2O2S
Molecular Weight433.36 g/mol
Exact Mass432.05
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-phenylthiophene-2-carboxamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C21H18Cl2N2O2S/c1-2-25(13-18(26)24-19-16(22)9-6-10-17(19)23)21(27)20-15(11-12-28-20)14-7-4-3-5-8-14/h3-12H,2,13H2,1H3,(H,24,26)
InChIKeyVKRJQKVAJJTIJO-UHFFFAOYSA-N
XLogP5.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.36
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 34169565
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenoxybenzamide
CID 25313751
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 31713151
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 24660665
4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 25313738
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-thiophen-2-ylbutanamide
CID 25313719
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenylmethoxybenzamide
CID 27744494
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(4-methylphenyl)thiophene-2-carboxamide
CID 33050240
2-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-fluorobenzamide
CID 34169732
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1H-indole-2-carboxamide
CID 25313237
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-methylsulfonylpropanamide
CID 134034709

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-phenylthiophene-2-carboxamide (CID 112802848) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-phenylthiophene-2-carboxamide is CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1sccc1-c1ccccc1.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-phenylthiophene-2-carboxamide?
The InChIKey is VKRJQKVAJJTIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O2S/c1-2-25(13-18(26)24-19-16(22)9-6-10-17(19)23)21(27)20-15(11-12-28-20)14-7-4-3-5-8-14/h3-12H,2,13H2,1H3,(H,24,26).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-phenylthiophene-2-carboxamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-phenylthiophene-2-carboxamide has a molecular weight of 433.36 g/mol, XLogP of 5.82, 6 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-ethyl-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 112802848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).