methyl 5-[(3-methyl-1-benzothiophene-2-carbonyl)oxymethyl]furan-2-carboxylate

C17H14O5S — CID 8666323

IUPACmethyl 5-[(3-methyl-1-benzothiophene-2-carbonyl)oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2sc3ccccc3c2C)o1
InChIInChI=1S/C17H14O5S/c1-10-12-5-3-4-6-14(12)23-15(10)17(19)21-9-11-7-8-13(22-11)16(18)20-2/h3-8H,9H2,1-2H3
InChIKeyDRHKXQVKVNIFHJ-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.95
Rot. Bonds4

About methyl 5-[(3-methyl-1-benzothiophene-2-carbonyl)oxymethyl]furan-2-carboxylate

methyl 5-[(3-methyl-1-benzothiophene-2-carbonyl)oxymethyl]furan-2-carboxylate (PubChem CID 8666323) has the molecular formula C17H14O5S and a molecular weight of 330.36 g/mol. Its IUPAC name is methyl 5-[(3-methyl-1-benzothiophene-2-carbonyl)oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(3-methyl-1-benzothiophene-2-carbonyl)oxymethyl]furan-2-carboxylate
PubChem CID8666323
Molecular FormulaC17H14O5S
Molecular Weight330.36 g/mol
Exact Mass330.06
IUPAC Namemethyl 5-[(3-methyl-1-benzothiophene-2-carbonyl)oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2sc3ccccc3c2C)o1
InChIInChI=1S/C17H14O5S/c1-10-12-5-3-4-6-14(12)23-15(10)17(19)21-9-11-7-8-13(22-11)16(18)20-2/h3-8H,9H2,1-2H3
InChIKeyDRHKXQVKVNIFHJ-UHFFFAOYSA-N
XLogP3.95
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 5-[(3-methyl-1-benzothiophene-2-carbonyl)oxymethyl]furan-2-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

(5-methoxycarbonylfuran-2-yl)methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8513422
bis[(5-methoxycarbonylfuran-2-yl)methyl] pyridine-2,6-dicarboxylate
CID 2627632
cyanomethyl 3-methyl-1-benzothiophene-2-carboxylate
CID 8666019
methyl 5-[(3,5-dimethoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2516450
methyl 5-[(3-methoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2110550
chloro 3-methyl-1-benzothiophene-2-carboxylate
CID 54436811
methyl 5-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carbonyl]oxymethyl]furan-2-carboxylate
CID 32933113
(5-methoxycarbonylfuran-2-yl)methyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 7903992
methyl 5-[(2,3,4-trimethoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2522067
methyl 5-[(3,5-dichloro-4-methoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 9125878
2-O-ethyl 4-O-methyl 3-methyl-5-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate
CID 19412857
(5-methoxycarbonylfuran-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 2631168

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3-methyl-1-benzothiophene-2-carbonyl)oxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(3-methyl-1-benzothiophene-2-carbonyl)oxymethyl]furan-2-carboxylate (CID 8666323) is methyl 5-[(3-methyl-1-benzothiophene-2-carbonyl)oxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(3-methyl-1-benzothiophene-2-carbonyl)oxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(3-methyl-1-benzothiophene-2-carbonyl)oxymethyl]furan-2-carboxylate is COC(=O)c1ccc(COC(=O)c2sc3ccccc3c2C)o1.
What is the InChIKey of methyl 5-[(3-methyl-1-benzothiophene-2-carbonyl)oxymethyl]furan-2-carboxylate?
The InChIKey is DRHKXQVKVNIFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O5S/c1-10-12-5-3-4-6-14(12)23-15(10)17(19)21-9-11-7-8-13(22-11)16(18)20-2/h3-8H,9H2,1-2H3.
What are the key properties of methyl 5-[(3-methyl-1-benzothiophene-2-carbonyl)oxymethyl]furan-2-carboxylate?
methyl 5-[(3-methyl-1-benzothiophene-2-carbonyl)oxymethyl]furan-2-carboxylate has a molecular weight of 330.36 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3-methyl-1-benzothiophene-2-carbonyl)oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 8666323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).