[2-(methylcarbamoylamino)-2-oxoethyl] 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetate

C14H16FN3O5S — CID 7812295

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetate
SMILESCNC(=O)NC(=O)COC(=O)CSCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H16FN3O5S/c1-16-14(22)18-11(19)6-23-13(21)8-24-7-12(20)17-10-4-2-9(15)3-5-10/h2-5H,6-8H2,1H3,(H,17,20)(H2,16,18,19,22)
InChIKeyDHZSONWLJALATC-UHFFFAOYSA-N
MW357.36 g/mol
LogP0.50
Rot. Bonds7

About [2-(methylcarbamoylamino)-2-oxoethyl] 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetate

[2-(methylcarbamoylamino)-2-oxoethyl] 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetate (PubChem CID 7812295) has the molecular formula C14H16FN3O5S and a molecular weight of 357.36 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetate
PubChem CID7812295
Molecular FormulaC14H16FN3O5S
Molecular Weight357.36 g/mol
Exact Mass357.08
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetate
SMILESCNC(=O)NC(=O)COC(=O)CSCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H16FN3O5S/c1-16-14(22)18-11(19)6-23-13(21)8-24-7-12(20)17-10-4-2-9(15)3-5-10/h2-5H,6-8H2,1H3,(H,17,20)(H2,16,18,19,22)
InChIKeyDHZSONWLJALATC-UHFFFAOYSA-N
XLogP0.50
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791448
[2-(butylcarbamoylamino)-2-oxoethyl] 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
CID 8576458
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetate
CID 7812376
[2-(methylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2627763
(4-chlorophenyl)methyl 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetate
CID 7812349
[2-(2,5-difluorophenyl)-2-oxoethyl] 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
CID 7684405
[2-(ethylamino)-2-oxoethyl] 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
CID 2502076
ethyl 2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanylacetate
CID 4215614
ethyl 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetate
CID 4219982
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetate
CID 7812214
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791750
[2-(2-methylpropylamino)-2-oxoethyl] 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
CID 2502080

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetate (CID 7812295) is [2-(methylcarbamoylamino)-2-oxoethyl] 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetate is CNC(=O)NC(=O)COC(=O)CSCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetate?
The InChIKey is DHZSONWLJALATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O5S/c1-16-14(22)18-11(19)6-23-13(21)8-24-7-12(20)17-10-4-2-9(15)3-5-10/h2-5H,6-8H2,1H3,(H,17,20)(H2,16,18,19,22).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetate?
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetate has a molecular weight of 357.36 g/mol, XLogP of 0.50, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxoethyl] 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetate is sourced from PubChem (CID 7812295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).