methyl 3-[(4-fluorophenyl)carbamoylamino]thiophene-2-carboxylate

C13H11FN2O3S — CID 11837143

IUPACmethyl 3-[(4-fluorophenyl)carbamoylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H11FN2O3S/c1-19-12(17)11-10(6-7-20-11)16-13(18)15-9-4-2-8(14)3-5-9/h2-7H,1H3,(H2,15,16,18)
InChIKeyQHTWBPLMIIYCKC-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.32
Rot. Bonds3

About methyl 3-[(4-fluorophenyl)carbamoylamino]thiophene-2-carboxylate

methyl 3-[(4-fluorophenyl)carbamoylamino]thiophene-2-carboxylate (PubChem CID 11837143) has the molecular formula C13H11FN2O3S and a molecular weight of 294.31 g/mol. Its IUPAC name is methyl 3-[(4-fluorophenyl)carbamoylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-fluorophenyl)carbamoylamino]thiophene-2-carboxylate
PubChem CID11837143
Molecular FormulaC13H11FN2O3S
Molecular Weight294.31 g/mol
Exact Mass294.05
IUPAC Namemethyl 3-[(4-fluorophenyl)carbamoylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H11FN2O3S/c1-19-12(17)11-10(6-7-20-11)16-13(18)15-9-4-2-8(14)3-5-9/h2-7H,1H3,(H2,15,16,18)
InChIKeyQHTWBPLMIIYCKC-UHFFFAOYSA-N
XLogP3.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-fluorophenyl)carbamoylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(4-fluorophenyl)carbamoylamino]thiophene-2-carboxylate (CID 11837143) is methyl 3-[(4-fluorophenyl)carbamoylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(4-fluorophenyl)carbamoylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(4-fluorophenyl)carbamoylamino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)Nc1ccc(F)cc1.
What is the InChIKey of methyl 3-[(4-fluorophenyl)carbamoylamino]thiophene-2-carboxylate?
The InChIKey is QHTWBPLMIIYCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3S/c1-19-12(17)11-10(6-7-20-11)16-13(18)15-9-4-2-8(14)3-5-9/h2-7H,1H3,(H2,15,16,18).
What are the key properties of methyl 3-[(4-fluorophenyl)carbamoylamino]thiophene-2-carboxylate?
methyl 3-[(4-fluorophenyl)carbamoylamino]thiophene-2-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-fluorophenyl)carbamoylamino]thiophene-2-carboxylate is sourced from PubChem (CID 11837143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).