methyl 4-(2,6-dichloroanilino)-5-methylthiophene-3-carboxylate

C13H11Cl2NO2S — CID 56999266

IUPACmethyl 4-(2,6-dichloroanilino)-5-methylthiophene-3-carboxylate
SMILESCOC(=O)c1csc(C)c1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H11Cl2NO2S/c1-7-11(8(6-19-7)13(17)18-2)16-12-9(14)4-3-5-10(12)15/h3-6,16H,1-2H3
InChIKeyRUEWFRBGWGXUEM-UHFFFAOYSA-N
MW316.21 g/mol
LogP4.89
Rot. Bonds3

About methyl 4-(2,6-dichloroanilino)-5-methylthiophene-3-carboxylate

methyl 4-(2,6-dichloroanilino)-5-methylthiophene-3-carboxylate (PubChem CID 56999266) has the molecular formula C13H11Cl2NO2S and a molecular weight of 316.21 g/mol. Its IUPAC name is methyl 4-(2,6-dichloroanilino)-5-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2,6-dichloroanilino)-5-methylthiophene-3-carboxylate
PubChem CID56999266
Molecular FormulaC13H11Cl2NO2S
Molecular Weight316.21 g/mol
Exact Mass314.99
IUPAC Namemethyl 4-(2,6-dichloroanilino)-5-methylthiophene-3-carboxylate
SMILESCOC(=O)c1csc(C)c1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H11Cl2NO2S/c1-7-11(8(6-19-7)13(17)18-2)16-12-9(14)4-3-5-10(12)15/h3-6,16H,1-2H3
InChIKeyRUEWFRBGWGXUEM-UHFFFAOYSA-N
XLogP4.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2,6-dichloroanilino)-4-methylthiophene-2-carboxylate
CID 57017185
methyl 3-amino-2-(2,6-dichloroanilino)benzoate
CID 115935177
methyl 4-chloro-1-benzothiophene-3-carboxylate
CID 76854084
methyl 5-amino-3-chloro-2-(2,6-dichloroanilino)benzoate
CID 107196135
acetyl 2-(2,6-dichloroanilino)-3-methylbenzoate
CID 174742903
methyl 2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115424812
2-[3-(2,6-dichloroanilino)-4-methylthiophen-2-yl]-2-oxoacetic acid
CID 70573374
ethyl 2-(2,6-dichloroanilino)-1,3-thiazole-4-carboxylate
CID 80568594
methyl 3-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 169373285
methyl 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 109010077
methyl 2-[[3-(2,6-dichloroanilino)-3-oxopropanoyl]amino]benzoate
CID 108956315
methyl 3-chloro-2-(cyclohexylamino)benzoate
CID 643290

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,6-dichloroanilino)-5-methylthiophene-3-carboxylate?
The IUPAC name of methyl 4-(2,6-dichloroanilino)-5-methylthiophene-3-carboxylate (CID 56999266) is methyl 4-(2,6-dichloroanilino)-5-methylthiophene-3-carboxylate.
What is the SMILES notation for methyl 4-(2,6-dichloroanilino)-5-methylthiophene-3-carboxylate?
The canonical SMILES for methyl 4-(2,6-dichloroanilino)-5-methylthiophene-3-carboxylate is COC(=O)c1csc(C)c1Nc1c(Cl)cccc1Cl.
What is the InChIKey of methyl 4-(2,6-dichloroanilino)-5-methylthiophene-3-carboxylate?
The InChIKey is RUEWFRBGWGXUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO2S/c1-7-11(8(6-19-7)13(17)18-2)16-12-9(14)4-3-5-10(12)15/h3-6,16H,1-2H3.
What are the key properties of methyl 4-(2,6-dichloroanilino)-5-methylthiophene-3-carboxylate?
methyl 4-(2,6-dichloroanilino)-5-methylthiophene-3-carboxylate has a molecular weight of 316.21 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,6-dichloroanilino)-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 56999266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).