methyl 2-[(4-fluorobenzoyl)amino]-2-thiophen-2-ylacetate

C14H12FNO3S — CID 67546601

IUPACmethyl 2-[(4-fluorobenzoyl)amino]-2-thiophen-2-ylacetate
SMILESCOC(=O)C(NC(=O)c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C14H12FNO3S/c1-19-14(18)12(11-3-2-8-20-11)16-13(17)9-4-6-10(15)7-5-9/h2-8,12H,1H3,(H,16,17)
InChIKeyRAHFQWIVVUEWFF-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.53
Rot. Bonds4

About methyl 2-[(4-fluorobenzoyl)amino]-2-thiophen-2-ylacetate

methyl 2-[(4-fluorobenzoyl)amino]-2-thiophen-2-ylacetate (PubChem CID 67546601) has the molecular formula C14H12FNO3S and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl 2-[(4-fluorobenzoyl)amino]-2-thiophen-2-ylacetate.

Molecular Properties

Compound Namemethyl 2-[(4-fluorobenzoyl)amino]-2-thiophen-2-ylacetate
PubChem CID67546601
Molecular FormulaC14H12FNO3S
Molecular Weight293.32 g/mol
Exact Mass293.05
IUPAC Namemethyl 2-[(4-fluorobenzoyl)amino]-2-thiophen-2-ylacetate
SMILESCOC(=O)C(NC(=O)c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C14H12FNO3S/c1-19-14(18)12(11-3-2-8-20-11)16-13(17)9-4-6-10(15)7-5-9/h2-8,12H,1H3,(H,16,17)
InChIKeyRAHFQWIVVUEWFF-UHFFFAOYSA-N
XLogP2.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-fluorobenzoyl)amino]-2-thiophen-2-ylacetate?
The IUPAC name of methyl 2-[(4-fluorobenzoyl)amino]-2-thiophen-2-ylacetate (CID 67546601) is methyl 2-[(4-fluorobenzoyl)amino]-2-thiophen-2-ylacetate.
What is the SMILES notation for methyl 2-[(4-fluorobenzoyl)amino]-2-thiophen-2-ylacetate?
The canonical SMILES for methyl 2-[(4-fluorobenzoyl)amino]-2-thiophen-2-ylacetate is COC(=O)C(NC(=O)c1ccc(F)cc1)c1cccs1.
What is the InChIKey of methyl 2-[(4-fluorobenzoyl)amino]-2-thiophen-2-ylacetate?
The InChIKey is RAHFQWIVVUEWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3S/c1-19-14(18)12(11-3-2-8-20-11)16-13(17)9-4-6-10(15)7-5-9/h2-8,12H,1H3,(H,16,17).
What are the key properties of methyl 2-[(4-fluorobenzoyl)amino]-2-thiophen-2-ylacetate?
methyl 2-[(4-fluorobenzoyl)amino]-2-thiophen-2-ylacetate has a molecular weight of 293.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-fluorobenzoyl)amino]-2-thiophen-2-ylacetate is sourced from PubChem (CID 67546601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).