methyl 5-anilino-2-phenylthiophene-3-carboxylate

C18H15NO2S — CID 132562659

IUPACmethyl 5-anilino-2-phenylthiophene-3-carboxylate
SMILESCOC(=O)c1cc(Nc2ccccc2)sc1-c1ccccc1
InChIInChI=1S/C18H15NO2S/c1-21-18(20)15-12-16(19-14-10-6-3-7-11-14)22-17(15)13-8-4-2-5-9-13/h2-12,19H,1H3
InChIKeyDMPMKQCFKSQYCI-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.95
Rot. Bonds4

About methyl 5-anilino-2-phenylthiophene-3-carboxylate

methyl 5-anilino-2-phenylthiophene-3-carboxylate (PubChem CID 132562659) has the molecular formula C18H15NO2S and a molecular weight of 309.39 g/mol. Its IUPAC name is methyl 5-anilino-2-phenylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-anilino-2-phenylthiophene-3-carboxylate
PubChem CID132562659
Molecular FormulaC18H15NO2S
Molecular Weight309.39 g/mol
Exact Mass309.08
IUPAC Namemethyl 5-anilino-2-phenylthiophene-3-carboxylate
SMILESCOC(=O)c1cc(Nc2ccccc2)sc1-c1ccccc1
InChIInChI=1S/C18H15NO2S/c1-21-18(20)15-12-16(19-14-10-6-3-7-11-14)22-17(15)13-8-4-2-5-9-13/h2-12,19H,1H3
InChIKeyDMPMKQCFKSQYCI-UHFFFAOYSA-N
XLogP4.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-anilino-2-phenylthiophene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl 2-anilino-5-methylbenzene-1,4-dicarboxylate
CID 59019297
methyl 2-anilino-4,5-dimethoxybenzoate
CID 71428699
methyl 4-anilino-2-(trifluoromethyl)benzoate
CID 165389025
methyl 3,4-dihydroxy-5-phenylthiophene-2-carboxylate
CID 54697154
methyl 4-anilino-5-methylthiophene-2-carboxylate
CID 18537139
methyl 4-ethyl-5-phenylthiophene-3-carboxylate
CID 114748225
methyl 4-(2-oxo-5-phenyl-1,3-dithiol-4-yl)benzoate
CID 86696092
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methane;methyl 4-anilinobenzoate
CID 160948347
methyl 2,5-dihydroxy-4-phenylbenzoate
CID 166444407
methyl (2E)-2-(4-methoxycarbonyl-5-phenyl-1,3-dithiol-2-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
CID 12007614
methyl 2-anilino-5-methoxy-1,3-benzothiazole-6-carboxylate
CID 82548339

Frequently Asked Questions

What is the IUPAC name of methyl 5-anilino-2-phenylthiophene-3-carboxylate?
The IUPAC name of methyl 5-anilino-2-phenylthiophene-3-carboxylate (CID 132562659) is methyl 5-anilino-2-phenylthiophene-3-carboxylate.
What is the SMILES notation for methyl 5-anilino-2-phenylthiophene-3-carboxylate?
The canonical SMILES for methyl 5-anilino-2-phenylthiophene-3-carboxylate is COC(=O)c1cc(Nc2ccccc2)sc1-c1ccccc1.
What is the InChIKey of methyl 5-anilino-2-phenylthiophene-3-carboxylate?
The InChIKey is DMPMKQCFKSQYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2S/c1-21-18(20)15-12-16(19-14-10-6-3-7-11-14)22-17(15)13-8-4-2-5-9-13/h2-12,19H,1H3.
What are the key properties of methyl 5-anilino-2-phenylthiophene-3-carboxylate?
methyl 5-anilino-2-phenylthiophene-3-carboxylate has a molecular weight of 309.39 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-anilino-2-phenylthiophene-3-carboxylate is sourced from PubChem (CID 132562659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).