[2-(ethylamino)-2-oxoethyl] 2-[2-(ethylamino)-2-oxoethyl]sulfanylbenzoate

C15H20N2O4S — CID 2591123

IUPAC[2-(ethylamino)-2-oxoethyl] 2-[2-(ethylamino)-2-oxoethyl]sulfanylbenzoate
SMILESCCNC(=O)COC(=O)c1ccccc1SCC(=O)NCC
InChIInChI=1S/C15H20N2O4S/c1-3-16-13(18)9-21-15(20)11-7-5-6-8-12(11)22-10-14(19)17-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyOYXVLUBBACABHX-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.21
Rot. Bonds8

About [2-(ethylamino)-2-oxoethyl] 2-[2-(ethylamino)-2-oxoethyl]sulfanylbenzoate

[2-(ethylamino)-2-oxoethyl] 2-[2-(ethylamino)-2-oxoethyl]sulfanylbenzoate (PubChem CID 2591123) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 2-[2-(ethylamino)-2-oxoethyl]sulfanylbenzoate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 2-[2-(ethylamino)-2-oxoethyl]sulfanylbenzoate
PubChem CID2591123
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name[2-(ethylamino)-2-oxoethyl] 2-[2-(ethylamino)-2-oxoethyl]sulfanylbenzoate
SMILESCCNC(=O)COC(=O)c1ccccc1SCC(=O)NCC
InChIInChI=1S/C15H20N2O4S/c1-3-16-13(18)9-21-15(20)11-7-5-6-8-12(11)22-10-14(19)17-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyOYXVLUBBACABHX-UHFFFAOYSA-N
XLogP1.21
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(ethylcarbamoylamino)-2-oxoethyl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate
CID 9066702
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 42590255
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-methylsulfanylbenzoate
CID 2540064
[2-(2-ethoxyanilino)-2-oxoethyl] 2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylbenzoate
CID 3503829
[2-(cyclopropylamino)-2-oxoethyl] 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 29174702
(2-anilino-2-oxoethyl) 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzoate
CID 42106297
[2-(ethylamino)-2-oxoethyl] 2-benzoylbenzoate
CID 2621635
2-propan-2-yloxyethyl 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 55356954
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658568
[2-(cyclopropylamino)-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658293
[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 43032786
[2-(ethylamino)-2-oxoethyl] 2-phenoxybenzoate
CID 2498337

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 2-[2-(ethylamino)-2-oxoethyl]sulfanylbenzoate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 2-[2-(ethylamino)-2-oxoethyl]sulfanylbenzoate (CID 2591123) is [2-(ethylamino)-2-oxoethyl] 2-[2-(ethylamino)-2-oxoethyl]sulfanylbenzoate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 2-[2-(ethylamino)-2-oxoethyl]sulfanylbenzoate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 2-[2-(ethylamino)-2-oxoethyl]sulfanylbenzoate is CCNC(=O)COC(=O)c1ccccc1SCC(=O)NCC.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 2-[2-(ethylamino)-2-oxoethyl]sulfanylbenzoate?
The InChIKey is OYXVLUBBACABHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-3-16-13(18)9-21-15(20)11-7-5-6-8-12(11)22-10-14(19)17-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 2-[2-(ethylamino)-2-oxoethyl]sulfanylbenzoate?
[2-(ethylamino)-2-oxoethyl] 2-[2-(ethylamino)-2-oxoethyl]sulfanylbenzoate has a molecular weight of 324.40 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] 2-[2-(ethylamino)-2-oxoethyl]sulfanylbenzoate is sourced from PubChem (CID 2591123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).