methyl 2,4-diphenylthiophene-3-carboxylate

C18H14O2S — CID 12733358

IUPACmethyl 2,4-diphenylthiophene-3-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)csc1-c1ccccc1
InChIInChI=1S/C18H14O2S/c1-20-18(19)16-15(13-8-4-2-5-9-13)12-21-17(16)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyPQMCRWPJCHBZSH-UHFFFAOYSA-N
MW294.38 g/mol
LogP4.87
Rot. Bonds3

About methyl 2,4-diphenylthiophene-3-carboxylate

methyl 2,4-diphenylthiophene-3-carboxylate (PubChem CID 12733358) has the molecular formula C18H14O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is methyl 2,4-diphenylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,4-diphenylthiophene-3-carboxylate
PubChem CID12733358
Molecular FormulaC18H14O2S
Molecular Weight294.38 g/mol
Exact Mass294.07
IUPAC Namemethyl 2,4-diphenylthiophene-3-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)csc1-c1ccccc1
InChIInChI=1S/C18H14O2S/c1-20-18(19)16-15(13-8-4-2-5-9-13)12-21-17(16)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyPQMCRWPJCHBZSH-UHFFFAOYSA-N
XLogP4.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-4-phenylthiophene-3-carboxylate
CID 162514563
methyl 4-methyl-2-phenylthiophene-3-carboxylate
CID 162514558
methyl 3-hydroxy-4-phenylthiophene-2-carboxylate
CID 54696198
methyl 2-(2-chloroethoxycarbonylamino)-4-phenylthiophene-3-carboxylate
CID 2778225
methyl 2-[(2,6-dimethoxybenzoyl)amino]-4-phenylthiophene-3-carboxylate
CID 3554816
methyl 2-(3-methylbutanoylamino)-4-phenylthiophene-3-carboxylate
CID 844860
N-butyl-2,4-diphenylthiophene-3-carboxamide
CID 102375157
methyl 2-[(4-bromobenzoyl)amino]-4-phenylthiophene-3-carboxylate
CID 3280060
methyl 4-ethyl-5-phenylthiophene-3-carboxylate
CID 114748225
cis-(1S,2R)-2-[(3-methoxycarbonyl-4-phenylthiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 1013035
methyl 4-(4-chlorophenyl)-2-[(4-phenylbenzoyl)amino]thiophene-3-carboxylate
CID 2241845
dimethyl 5-phenyl-1,2-thiazole-3,4-dicarboxylate
CID 14546399

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-diphenylthiophene-3-carboxylate?
The IUPAC name of methyl 2,4-diphenylthiophene-3-carboxylate (CID 12733358) is methyl 2,4-diphenylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2,4-diphenylthiophene-3-carboxylate?
The canonical SMILES for methyl 2,4-diphenylthiophene-3-carboxylate is COC(=O)c1c(-c2ccccc2)csc1-c1ccccc1.
What is the InChIKey of methyl 2,4-diphenylthiophene-3-carboxylate?
The InChIKey is PQMCRWPJCHBZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2S/c1-20-18(19)16-15(13-8-4-2-5-9-13)12-21-17(16)14-10-6-3-7-11-14/h2-12H,1H3.
What are the key properties of methyl 2,4-diphenylthiophene-3-carboxylate?
methyl 2,4-diphenylthiophene-3-carboxylate has a molecular weight of 294.38 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-diphenylthiophene-3-carboxylate is sourced from PubChem (CID 12733358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).