methyl 3-methyl-5-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate

C17H15NO4S — CID 8928559

IUPACmethyl 3-methyl-5-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(NC(=O)c2oc3ccccc3c2C)cc1C
InChIInChI=1S/C17H15NO4S/c1-9-8-13(23-15(9)17(20)21-3)18-16(19)14-10(2)11-6-4-5-7-12(11)22-14/h4-8H,1-3H3,(H,18,19)
InChIKeyCOTFPRGGNUDTOA-UHFFFAOYSA-N
MW329.38 g/mol
LogP4.15
Rot. Bonds3

About methyl 3-methyl-5-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate

methyl 3-methyl-5-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate (PubChem CID 8928559) has the molecular formula C17H15NO4S and a molecular weight of 329.38 g/mol. Its IUPAC name is methyl 3-methyl-5-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-5-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate
PubChem CID8928559
Molecular FormulaC17H15NO4S
Molecular Weight329.38 g/mol
Exact Mass329.07
IUPAC Namemethyl 3-methyl-5-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(NC(=O)c2oc3ccccc3c2C)cc1C
InChIInChI=1S/C17H15NO4S/c1-9-8-13(23-15(9)17(20)21-3)18-16(19)14-10(2)11-6-4-5-7-12(11)22-14/h4-8H,1-3H3,(H,18,19)
InChIKeyCOTFPRGGNUDTOA-UHFFFAOYSA-N
XLogP4.15
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 8919323
3-methyl-N-(2,4,6-trichlorophenyl)-1-benzofuran-2-carboxamide
CID 108793598
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 1246228
ethyl 3-methyl-5-[(3-oxobenzo[f]chromene-2-carbonyl)amino]thiophene-2-carboxylate
CID 7126145
3-methyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide
CID 648777
N-(5-tert-butyl-2-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 2464234
methyl 2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 78809104
N-(2,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7770031
3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 7770823
N-[2-methoxy-5-(methylcarbamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 87001795
(3,5-dimethylphenyl) 3-methyl-1-benzofuran-2-carboxylate
CID 7961129
3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 27608073

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-5-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-methyl-5-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate (CID 8928559) is methyl 3-methyl-5-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-methyl-5-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-methyl-5-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate is COC(=O)c1sc(NC(=O)c2oc3ccccc3c2C)cc1C.
What is the InChIKey of methyl 3-methyl-5-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate?
The InChIKey is COTFPRGGNUDTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4S/c1-9-8-13(23-15(9)17(20)21-3)18-16(19)14-10(2)11-6-4-5-7-12(11)22-14/h4-8H,1-3H3,(H,18,19).
What are the key properties of methyl 3-methyl-5-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate?
methyl 3-methyl-5-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate has a molecular weight of 329.38 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-5-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 8928559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).