[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate

C15H13FN2O4S — CID 4856435

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H13FN2O4S/c16-10-3-1-9(2-4-10)7-13(20)22-8-12(19)18-15-11(14(17)21)5-6-23-15/h1-6H,7-8H2,(H2,17,21)(H,18,19)
InChIKeyDFCLJKYYTLGIDB-UHFFFAOYSA-N
MW336.34 g/mol
LogP1.71
Rot. Bonds6

About [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate (PubChem CID 4856435) has the molecular formula C15H13FN2O4S and a molecular weight of 336.34 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
PubChem CID4856435
Molecular FormulaC15H13FN2O4S
Molecular Weight336.34 g/mol
Exact Mass336.06
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H13FN2O4S/c16-10-3-1-9(2-4-10)7-13(20)22-8-12(19)18-15-11(14(17)21)5-6-23-15/h1-6H,7-8H2,(H2,17,21)(H,18,19)
InChIKeyDFCLJKYYTLGIDB-UHFFFAOYSA-N
XLogP1.71
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 51.71
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-(4-fluorophenyl)acetate?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate (CID 4856435) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate is NC(=O)c1ccsc1NC(=O)COC(=O)Cc1ccc(F)cc1.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The InChIKey is DFCLJKYYTLGIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4S/c16-10-3-1-9(2-4-10)7-13(20)22-8-12(19)18-15-11(14(17)21)5-6-23-15/h1-6H,7-8H2,(H2,17,21)(H,18,19).
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate has a molecular weight of 336.34 g/mol, XLogP of 1.71, 6 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-(4-fluorophenyl)acetate is sourced from PubChem (CID 4856435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).