methyl 4-anilino-5-methylthiophene-2-carboxylate

C13H13NO2S — CID 18537139

IUPACmethyl 4-anilino-5-methylthiophene-2-carboxylate
SMILESCOC(=O)c1cc(Nc2ccccc2)c(C)s1
InChIInChI=1S/C13H13NO2S/c1-9-11(8-12(17-9)13(15)16-2)14-10-6-4-3-5-7-10/h3-8,14H,1-2H3
InChIKeyGCRNZVFSLXOEPC-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.59
Rot. Bonds3

About methyl 4-anilino-5-methylthiophene-2-carboxylate

methyl 4-anilino-5-methylthiophene-2-carboxylate (PubChem CID 18537139) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is methyl 4-anilino-5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-anilino-5-methylthiophene-2-carboxylate
PubChem CID18537139
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Namemethyl 4-anilino-5-methylthiophene-2-carboxylate
SMILESCOC(=O)c1cc(Nc2ccccc2)c(C)s1
InChIInChI=1S/C13H13NO2S/c1-9-11(8-12(17-9)13(15)16-2)14-10-6-4-3-5-7-10/h3-8,14H,1-2H3
InChIKeyGCRNZVFSLXOEPC-UHFFFAOYSA-N
XLogP3.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-methylsulfanyl-4-(3-phenoxyanilino)thiophene-2-carboxylate
CID 18537186
dimethyl 2-anilino-5-methylbenzene-1,4-dicarboxylate
CID 59019297
methyl 4-[(2-chloroacetyl)amino]-5-methylthiophene-2-carboxylate
CID 166431687
methyl 5-anilino-6-chloro-4,7-dioxo-1-benzothiophene-2-carboxylate
CID 6480743
methyl 2-anilino-4,5-dimethoxybenzoate
CID 71428699
methyl 4-anilino-2-methylquinoline-6-carboxylate
CID 730938
methyl N-[2,4-dianilino-5-(methoxycarbonylamino)phenyl]carbamate
CID 23026427
methyl 5-ethyl-4-phenylthiophene-2-carboxylate
CID 58438730
methyl 5-anilino-2-phenylthiophene-3-carboxylate
CID 132562659
methane;methyl 4-anilinobenzoate
CID 160948347
methyl 5-methyl-4-(sulfanylmethyl)thiophene-2-carboxylate
CID 165473233
methyl 4-phenyl-5-propylthiophene-2-carboxylate
CID 58438998

Frequently Asked Questions

What is the IUPAC name of methyl 4-anilino-5-methylthiophene-2-carboxylate?
The IUPAC name of methyl 4-anilino-5-methylthiophene-2-carboxylate (CID 18537139) is methyl 4-anilino-5-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 4-anilino-5-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 4-anilino-5-methylthiophene-2-carboxylate is COC(=O)c1cc(Nc2ccccc2)c(C)s1.
What is the InChIKey of methyl 4-anilino-5-methylthiophene-2-carboxylate?
The InChIKey is GCRNZVFSLXOEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-9-11(8-12(17-9)13(15)16-2)14-10-6-4-3-5-7-10/h3-8,14H,1-2H3.
What are the key properties of methyl 4-anilino-5-methylthiophene-2-carboxylate?
methyl 4-anilino-5-methylthiophene-2-carboxylate has a molecular weight of 247.32 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-anilino-5-methylthiophene-2-carboxylate is sourced from PubChem (CID 18537139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).