[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxy-4-methylsulfanylbenzoate

C15H20N2O5S — CID 3665290

IUPAC[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxy-4-methylsulfanylbenzoate
SMILESCCNC(=O)NC(=O)C(C)OC(=O)c1ccc(SC)cc1OC
InChIInChI=1S/C15H20N2O5S/c1-5-16-15(20)17-13(18)9(2)22-14(19)11-7-6-10(23-4)8-12(11)21-3/h6-9H,5H2,1-4H3,(H2,16,17,18,20)
InChIKeyHTZRUGKNERLXJU-UHFFFAOYSA-N
MW340.40 g/mol
LogP1.81
Rot. Bonds6

About [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxy-4-methylsulfanylbenzoate

[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxy-4-methylsulfanylbenzoate (PubChem CID 3665290) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxy-4-methylsulfanylbenzoate.

Molecular Properties

Compound Name[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxy-4-methylsulfanylbenzoate
PubChem CID3665290
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxy-4-methylsulfanylbenzoate
SMILESCCNC(=O)NC(=O)C(C)OC(=O)c1ccc(SC)cc1OC
InChIInChI=1S/C15H20N2O5S/c1-5-16-15(20)17-13(18)9(2)22-14(19)11-7-6-10(23-4)8-12(11)21-3/h6-9H,5H2,1-4H3,(H2,16,17,18,20)
InChIKeyHTZRUGKNERLXJU-UHFFFAOYSA-N
XLogP1.81
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxy-4-methylsulfanylbenzoate?
The IUPAC name of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxy-4-methylsulfanylbenzoate (CID 3665290) is [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxy-4-methylsulfanylbenzoate.
What is the SMILES notation for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxy-4-methylsulfanylbenzoate?
The canonical SMILES for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxy-4-methylsulfanylbenzoate is CCNC(=O)NC(=O)C(C)OC(=O)c1ccc(SC)cc1OC.
What is the InChIKey of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxy-4-methylsulfanylbenzoate?
The InChIKey is HTZRUGKNERLXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-5-16-15(20)17-13(18)9(2)22-14(19)11-7-6-10(23-4)8-12(11)21-3/h6-9H,5H2,1-4H3,(H2,16,17,18,20).
What are the key properties of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxy-4-methylsulfanylbenzoate?
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxy-4-methylsulfanylbenzoate has a molecular weight of 340.40 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxy-4-methylsulfanylbenzoate is sourced from PubChem (CID 3665290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).