[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-fluorobenzoate

C14H11FN2O4S — CID 2511408

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-fluorobenzoate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)c1ccccc1F
InChIInChI=1S/C14H11FN2O4S/c15-10-4-2-1-3-8(10)14(20)21-7-11(18)17-13-9(12(16)19)5-6-22-13/h1-6H,7H2,(H2,16,19)(H,17,18)
InChIKeyXAPBEUCVGKWAOD-UHFFFAOYSA-N
MW322.32 g/mol
LogP1.78
Rot. Bonds5

About [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-fluorobenzoate

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-fluorobenzoate (PubChem CID 2511408) has the molecular formula C14H11FN2O4S and a molecular weight of 322.32 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-fluorobenzoate.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-fluorobenzoate
PubChem CID2511408
Molecular FormulaC14H11FN2O4S
Molecular Weight322.32 g/mol
Exact Mass322.04
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-fluorobenzoate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)c1ccccc1F
InChIInChI=1S/C14H11FN2O4S/c15-10-4-2-1-3-8(10)14(20)21-7-11(18)17-13-9(12(16)19)5-6-22-13/h1-6H,7H2,(H2,16,19)(H,17,18)
InChIKeyXAPBEUCVGKWAOD-UHFFFAOYSA-N
XLogP1.78
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-fluorobenzoate?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-fluorobenzoate (CID 2511408) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-fluorobenzoate.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-fluorobenzoate?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-fluorobenzoate is NC(=O)c1ccsc1NC(=O)COC(=O)c1ccccc1F.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-fluorobenzoate?
The InChIKey is XAPBEUCVGKWAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4S/c15-10-4-2-1-3-8(10)14(20)21-7-11(18)17-13-9(12(16)19)5-6-22-13/h1-6H,7H2,(H2,16,19)(H,17,18).
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-fluorobenzoate?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-fluorobenzoate has a molecular weight of 322.32 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-fluorobenzoate is sourced from PubChem (CID 2511408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).