[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-methylsulfanylbenzoate

C16H22N2O4S — CID 8841059

IUPAC[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-methylsulfanylbenzoate
SMILESCCNC(=O)CN(CC)C(=O)COC(=O)c1ccccc1SC
InChIInChI=1S/C16H22N2O4S/c1-4-17-14(19)10-18(5-2)15(20)11-22-16(21)12-8-6-7-9-13(12)23-3/h6-9H,4-5,10-11H2,1-3H3,(H,17,19)
InChIKeyXIURAZPFAOTQGD-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.55
Rot. Bonds8

About [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-methylsulfanylbenzoate

[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-methylsulfanylbenzoate (PubChem CID 8841059) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-methylsulfanylbenzoate.

Molecular Properties

Compound Name[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-methylsulfanylbenzoate
PubChem CID8841059
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-methylsulfanylbenzoate
SMILESCCNC(=O)CN(CC)C(=O)COC(=O)c1ccccc1SC
InChIInChI=1S/C16H22N2O4S/c1-4-17-14(19)10-18(5-2)15(20)11-22-16(21)12-8-6-7-9-13(12)23-3/h6-9H,4-5,10-11H2,1-3H3,(H,17,19)
InChIKeyXIURAZPFAOTQGD-UHFFFAOYSA-N
XLogP1.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate
CID 9197450
[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 9347819
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-methylsulfanylbenzoate
CID 2540064
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-methylsulfanylbenzoate
CID 2540036
[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-methoxybenzoate
CID 9011208
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-methylsulfanylbenzoate
CID 8841416
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-methylsulfanylbenzoate
CID 8841258
[2-(ethylamino)-2-oxoethyl] 2-[2-(ethylamino)-2-oxoethyl]sulfanylbenzoate
CID 2591123
[2-oxo-2-(prop-2-ynylamino)ethyl] 2-methylsulfanylbenzoate
CID 8841118
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-methylsulfanylbenzoate
CID 8841267
[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 8847490
[2-(diethylamino)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate
CID 2570877

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-methylsulfanylbenzoate?
The IUPAC name of [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-methylsulfanylbenzoate (CID 8841059) is [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-methylsulfanylbenzoate.
What is the SMILES notation for [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-methylsulfanylbenzoate?
The canonical SMILES for [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-methylsulfanylbenzoate is CCNC(=O)CN(CC)C(=O)COC(=O)c1ccccc1SC.
What is the InChIKey of [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-methylsulfanylbenzoate?
The InChIKey is XIURAZPFAOTQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-4-17-14(19)10-18(5-2)15(20)11-22-16(21)12-8-6-7-9-13(12)23-3/h6-9H,4-5,10-11H2,1-3H3,(H,17,19).
What are the key properties of [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-methylsulfanylbenzoate?
[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-methylsulfanylbenzoate has a molecular weight of 338.43 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-methylsulfanylbenzoate is sourced from PubChem (CID 8841059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).