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

C16H14FN3O5S — CID 7877621

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H14FN3O5S/c17-10-3-1-9(2-4-10)15(24)19-7-13(22)25-8-12(21)20-16-11(14(18)23)5-6-26-16/h1-6H,7-8H2,(H2,18,23)(H,19,24)(H,20,21)
InChIKeyWESMCXWGNVQTML-UHFFFAOYSA-N
MW379.37 g/mol
LogP0.90
Rot. Bonds7

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

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate (PubChem CID 7877621) has the molecular formula C16H14FN3O5S and a molecular weight of 379.37 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
PubChem CID7877621
Molecular FormulaC16H14FN3O5S
Molecular Weight379.37 g/mol
Exact Mass379.06
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H14FN3O5S/c17-10-3-1-9(2-4-10)15(24)19-7-13(22)25-8-12(21)20-16-11(14(18)23)5-6-26-16/h1-6H,7-8H2,(H2,18,23)(H,19,24)(H,20,21)
InChIKeyWESMCXWGNVQTML-UHFFFAOYSA-N
XLogP0.90
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate (CID 7877621) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate is NC(=O)c1ccsc1NC(=O)COC(=O)CNC(=O)c1ccc(F)cc1.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate?
The InChIKey is WESMCXWGNVQTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O5S/c17-10-3-1-9(2-4-10)15(24)19-7-13(22)25-8-12(21)20-16-11(14(18)23)5-6-26-16/h1-6H,7-8H2,(H2,18,23)(H,19,24)(H,20,21).
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate has a molecular weight of 379.37 g/mol, XLogP of 0.90, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 7877621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).