methyl 3-[(2-fluorobenzoyl)amino]thiophene-2-carboxylate

C13H10FNO3S — CID 579516

IUPACmethyl 3-[(2-fluorobenzoyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1ccccc1F
InChIInChI=1S/C13H10FNO3S/c1-18-13(17)11-10(6-7-19-11)15-12(16)8-4-2-3-5-9(8)14/h2-7H,1H3,(H,15,16)
InChIKeyHDUAAFYMMMHQCX-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.93
Rot. Bonds3

About methyl 3-[(2-fluorobenzoyl)amino]thiophene-2-carboxylate

methyl 3-[(2-fluorobenzoyl)amino]thiophene-2-carboxylate (PubChem CID 579516) has the molecular formula C13H10FNO3S and a molecular weight of 279.29 g/mol. Its IUPAC name is methyl 3-[(2-fluorobenzoyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-fluorobenzoyl)amino]thiophene-2-carboxylate
PubChem CID579516
Molecular FormulaC13H10FNO3S
Molecular Weight279.29 g/mol
Exact Mass279.04
IUPAC Namemethyl 3-[(2-fluorobenzoyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1ccccc1F
InChIInChI=1S/C13H10FNO3S/c1-18-13(17)11-10(6-7-19-11)15-12(16)8-4-2-3-5-9(8)14/h2-7H,1H3,(H,15,16)
InChIKeyHDUAAFYMMMHQCX-UHFFFAOYSA-N
XLogP2.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-fluorobenzoyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2-fluorobenzoyl)amino]thiophene-2-carboxylate (CID 579516) is methyl 3-[(2-fluorobenzoyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-fluorobenzoyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2-fluorobenzoyl)amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)c1ccccc1F.
What is the InChIKey of methyl 3-[(2-fluorobenzoyl)amino]thiophene-2-carboxylate?
The InChIKey is HDUAAFYMMMHQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3S/c1-18-13(17)11-10(6-7-19-11)15-12(16)8-4-2-3-5-9(8)14/h2-7H,1H3,(H,15,16).
What are the key properties of methyl 3-[(2-fluorobenzoyl)amino]thiophene-2-carboxylate?
methyl 3-[(2-fluorobenzoyl)amino]thiophene-2-carboxylate has a molecular weight of 279.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-fluorobenzoyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 579516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).