[2-oxo-2-(pentan-3-ylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate

C18H26N2O6S — CID 8705256

IUPAC[2-oxo-2-(pentan-3-ylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate
SMILESCCC(CC)NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H26N2O6S/c1-3-15(4-2)19-17(21)13-26-18(22)14-5-7-16(8-6-14)27(23,24)20-9-11-25-12-10-20/h5-8,15H,3-4,9-13H2,1-2H3,(H,19,21)
InChIKeyPREQODCUXISLFQ-UHFFFAOYSA-N
MW398.48 g/mol
LogP1.17
Rot. Bonds8

About [2-oxo-2-(pentan-3-ylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate

[2-oxo-2-(pentan-3-ylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate (PubChem CID 8705256) has the molecular formula C18H26N2O6S and a molecular weight of 398.48 g/mol. Its IUPAC name is [2-oxo-2-(pentan-3-ylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(pentan-3-ylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate
PubChem CID8705256
Molecular FormulaC18H26N2O6S
Molecular Weight398.48 g/mol
Exact Mass398.15
IUPAC Name[2-oxo-2-(pentan-3-ylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate
SMILESCCC(CC)NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H26N2O6S/c1-3-15(4-2)19-17(21)13-26-18(22)14-5-7-16(8-6-14)27(23,24)20-9-11-25-12-10-20/h5-8,15H,3-4,9-13H2,1-2H3,(H,19,21)
InChIKeyPREQODCUXISLFQ-UHFFFAOYSA-N
XLogP1.17
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(pentan-3-ylamino)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2432684
[2-(2-methylpropylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 4843377
[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 26464667
[2-oxo-2-(pentan-3-ylamino)ethyl] 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 7881646
[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 16527597
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2553643
[2-(4-iodoanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 2353513
[2-oxo-2-(2-phenylethylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 55314397
[2-(2-cyanoethylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 16527550
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 7119219
[2-(3-methylanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 8705268
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 7667091

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(pentan-3-ylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-oxo-2-(pentan-3-ylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate (CID 8705256) is [2-oxo-2-(pentan-3-ylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-oxo-2-(pentan-3-ylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-oxo-2-(pentan-3-ylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate is CCC(CC)NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of [2-oxo-2-(pentan-3-ylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate?
The InChIKey is PREQODCUXISLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O6S/c1-3-15(4-2)19-17(21)13-26-18(22)14-5-7-16(8-6-14)27(23,24)20-9-11-25-12-10-20/h5-8,15H,3-4,9-13H2,1-2H3,(H,19,21).
What are the key properties of [2-oxo-2-(pentan-3-ylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate?
[2-oxo-2-(pentan-3-ylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate has a molecular weight of 398.48 g/mol, XLogP of 1.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(pentan-3-ylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 8705256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).