methyl 2-methyl-3-(thiophene-2-carbonylamino)benzoate

C14H13NO3S — CID 888367

IUPACmethyl 2-methyl-3-(thiophene-2-carbonylamino)benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cccs2)c1C
InChIInChI=1S/C14H13NO3S/c1-9-10(14(17)18-2)5-3-6-11(9)15-13(16)12-7-4-8-19-12/h3-8H,1-2H3,(H,15,16)
InChIKeyJYDMOLCSZFBNJR-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.10
Rot. Bonds3

About methyl 2-methyl-3-(thiophene-2-carbonylamino)benzoate

methyl 2-methyl-3-(thiophene-2-carbonylamino)benzoate (PubChem CID 888367) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is methyl 2-methyl-3-(thiophene-2-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-(thiophene-2-carbonylamino)benzoate
PubChem CID888367
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Namemethyl 2-methyl-3-(thiophene-2-carbonylamino)benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cccs2)c1C
InChIInChI=1S/C14H13NO3S/c1-9-10(14(17)18-2)5-3-6-11(9)15-13(16)12-7-4-8-19-12/h3-8H,1-2H3,(H,15,16)
InChIKeyJYDMOLCSZFBNJR-UHFFFAOYSA-N
XLogP3.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-(thiophene-2-carbonylamino)benzoate?
The IUPAC name of methyl 2-methyl-3-(thiophene-2-carbonylamino)benzoate (CID 888367) is methyl 2-methyl-3-(thiophene-2-carbonylamino)benzoate.
What is the SMILES notation for methyl 2-methyl-3-(thiophene-2-carbonylamino)benzoate?
The canonical SMILES for methyl 2-methyl-3-(thiophene-2-carbonylamino)benzoate is COC(=O)c1cccc(NC(=O)c2cccs2)c1C.
What is the InChIKey of methyl 2-methyl-3-(thiophene-2-carbonylamino)benzoate?
The InChIKey is JYDMOLCSZFBNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-9-10(14(17)18-2)5-3-6-11(9)15-13(16)12-7-4-8-19-12/h3-8H,1-2H3,(H,15,16).
What are the key properties of methyl 2-methyl-3-(thiophene-2-carbonylamino)benzoate?
methyl 2-methyl-3-(thiophene-2-carbonylamino)benzoate has a molecular weight of 275.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-(thiophene-2-carbonylamino)benzoate is sourced from PubChem (CID 888367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).