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

C17H16N2O6S — CID 4844090

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
SMILESCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2sccc2C(N)=O)cc1
InChIInChI=1S/C17H16N2O6S/c1-10(20)11-2-4-12(5-3-11)24-9-15(22)25-8-14(21)19-17-13(16(18)23)6-7-26-17/h2-7H,8-9H2,1H3,(H2,18,23)(H,19,21)
InChIKeyKJEIMDOUUCCTPB-UHFFFAOYSA-N
MW376.39 g/mol
LogP1.61
Rot. Bonds8

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

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate (PubChem CID 4844090) has the molecular formula C17H16N2O6S and a molecular weight of 376.39 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
PubChem CID4844090
Molecular FormulaC17H16N2O6S
Molecular Weight376.39 g/mol
Exact Mass376.07
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
SMILESCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2sccc2C(N)=O)cc1
InChIInChI=1S/C17H16N2O6S/c1-10(20)11-2-4-12(5-3-11)24-9-15(22)25-8-14(21)19-17-13(16(18)23)6-7-26-17/h2-7H,8-9H2,1H3,(H2,18,23)(H,19,21)
InChIKeyKJEIMDOUUCCTPB-UHFFFAOYSA-N
XLogP1.61
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate (CID 4844090) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate is CC(=O)c1ccc(OCC(=O)OCC(=O)Nc2sccc2C(N)=O)cc1.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate?
The InChIKey is KJEIMDOUUCCTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O6S/c1-10(20)11-2-4-12(5-3-11)24-9-15(22)25-8-14(21)19-17-13(16(18)23)6-7-26-17/h2-7H,8-9H2,1H3,(H2,18,23)(H,19,21).
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate has a molecular weight of 376.39 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate is sourced from PubChem (CID 4844090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).