[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate

C16H22N2O4S — CID 7229581

IUPAC[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate
SMILESCc1ccccc1SCC(=O)OCC(=O)NC(=O)NCC(C)C
InChIInChI=1S/C16H22N2O4S/c1-11(2)8-17-16(21)18-14(19)9-22-15(20)10-23-13-7-5-4-6-12(13)3/h4-7,11H,8-10H2,1-3H3,(H2,17,18,19,21)
InChIKeyUUGJBTUETHHFID-UHFFFAOYSA-N
MW338.43 g/mol
LogP2.11
Rot. Bonds7

About [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate (PubChem CID 7229581) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate
PubChem CID7229581
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate
SMILESCc1ccccc1SCC(=O)OCC(=O)NC(=O)NCC(C)C
InChIInChI=1S/C16H22N2O4S/c1-11(2)8-17-16(21)18-14(19)9-22-15(20)10-23-13-7-5-4-6-12(13)3/h4-7,11H,8-10H2,1-3H3,(H2,17,18,19,21)
InChIKeyUUGJBTUETHHFID-UHFFFAOYSA-N
XLogP2.11
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate?
The IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate (CID 7229581) is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate.
What is the SMILES notation for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate?
The canonical SMILES for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate is Cc1ccccc1SCC(=O)OCC(=O)NC(=O)NCC(C)C.
What is the InChIKey of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate?
The InChIKey is UUGJBTUETHHFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-11(2)8-17-16(21)18-14(19)9-22-15(20)10-23-13-7-5-4-6-12(13)3/h4-7,11H,8-10H2,1-3H3,(H2,17,18,19,21).
What are the key properties of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate?
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate has a molecular weight of 338.43 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate is sourced from PubChem (CID 7229581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).