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

C12H11NO4S — CID 71969722

IUPACmethyl 5-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1csc(NC(=O)c2occc2C)c1
InChIInChI=1S/C12H11NO4S/c1-7-3-4-17-10(7)11(14)13-9-5-8(6-18-9)12(15)16-2/h3-6H,1-2H3,(H,13,14)
InChIKeySOHXPVZAYDTTQL-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.69
Rot. Bonds3

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

methyl 5-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate (PubChem CID 71969722) has the molecular formula C12H11NO4S and a molecular weight of 265.29 g/mol. Its IUPAC name is methyl 5-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate
PubChem CID71969722
Molecular FormulaC12H11NO4S
Molecular Weight265.29 g/mol
Exact Mass265.04
IUPAC Namemethyl 5-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1csc(NC(=O)c2occc2C)c1
InChIInChI=1S/C12H11NO4S/c1-7-3-4-17-10(7)11(14)13-9-5-8(6-18-9)12(15)16-2/h3-6H,1-2H3,(H,13,14)
InChIKeySOHXPVZAYDTTQL-UHFFFAOYSA-N
XLogP2.69
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[(3-cyanobenzoyl)amino]thiophene-3-carboxylate
CID 71969727
methyl 5-[(4-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]thiophene-3-carboxylate
CID 138014307
N-(4-bromo-3,5-dimethylphenyl)-3-methylfuran-2-carboxamide
CID 103581989
N-(4-bromo-2,6-dimethylphenyl)-3-methylfuran-2-carboxamide
CID 60794252
N-(3-hydroxy-2-methylphenyl)-3-methylfuran-2-carboxamide
CID 64793072
N-(4-ethylphenyl)-3-methylfuran-2-carboxamide
CID 18106134
ethyl 5-ethyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate
CID 43408258
N-(4-aminophenyl)-3-methylfuran-2-carboxamide
CID 16772874
5-methyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 63615336
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylfuran-2-carboxamide
CID 115609974
N-(cyanomethyl)-3-methylfuran-2-carboxamide
CID 60893946
3-methyl-N-(4-propan-2-yloxyphenyl)furan-2-carboxamide
CID 110695656

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate?
The IUPAC name of methyl 5-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate (CID 71969722) is methyl 5-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 5-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 5-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate is COC(=O)c1csc(NC(=O)c2occc2C)c1.
What is the InChIKey of methyl 5-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate?
The InChIKey is SOHXPVZAYDTTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S/c1-7-3-4-17-10(7)11(14)13-9-5-8(6-18-9)12(15)16-2/h3-6H,1-2H3,(H,13,14).
What are the key properties of methyl 5-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate?
methyl 5-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate has a molecular weight of 265.29 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 71969722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).