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

C16H22N2O6S — CID 7699376

IUPAC[2-oxo-2-(propylamino)ethyl] 3-morpholin-4-ylsulfonylbenzoate
SMILESCCCNC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H22N2O6S/c1-2-6-17-15(19)12-24-16(20)13-4-3-5-14(11-13)25(21,22)18-7-9-23-10-8-18/h3-5,11H,2,6-10,12H2,1H3,(H,17,19)
InChIKeyNZZRFMBQEPCBJR-UHFFFAOYSA-N
MW370.43 g/mol
LogP0.39
Rot. Bonds7

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

[2-oxo-2-(propylamino)ethyl] 3-morpholin-4-ylsulfonylbenzoate (PubChem CID 7699376) has the molecular formula C16H22N2O6S and a molecular weight of 370.43 g/mol. Its IUPAC name is [2-oxo-2-(propylamino)ethyl] 3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(propylamino)ethyl] 3-morpholin-4-ylsulfonylbenzoate
PubChem CID7699376
Molecular FormulaC16H22N2O6S
Molecular Weight370.43 g/mol
Exact Mass370.12
IUPAC Name[2-oxo-2-(propylamino)ethyl] 3-morpholin-4-ylsulfonylbenzoate
SMILESCCCNC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H22N2O6S/c1-2-6-17-15(19)12-24-16(20)13-4-3-5-14(11-13)25(21,22)18-7-9-23-10-8-18/h3-5,11H,2,6-10,12H2,1H3,(H,17,19)
InChIKeyNZZRFMBQEPCBJR-UHFFFAOYSA-N
XLogP0.39
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(propylamino)ethyl] 3-(azepan-1-ylsulfonyl)benzoate
CID 2545037
[2-(carbamoylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 16521625
ethyl 3-morpholin-4-ylsulfonylbenzoate
CID 793747
[2-oxo-2-(pentylamino)ethyl] 3-piperidin-1-ylsulfonylbenzoate
CID 9081458
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 55313549
[2-(diethylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 7699367
[2-(ethylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate
CID 2511017
phenacyl 3-morpholin-4-ylsulfonylbenzoate
CID 1124162
[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 55313560
[2-(3-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 25044862
[2-(3-chloroanilino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 55313533
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 7699389

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylamino)ethyl] 3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-oxo-2-(propylamino)ethyl] 3-morpholin-4-ylsulfonylbenzoate (CID 7699376) is [2-oxo-2-(propylamino)ethyl] 3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-oxo-2-(propylamino)ethyl] 3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-oxo-2-(propylamino)ethyl] 3-morpholin-4-ylsulfonylbenzoate is CCCNC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of [2-oxo-2-(propylamino)ethyl] 3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is NZZRFMBQEPCBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O6S/c1-2-6-17-15(19)12-24-16(20)13-4-3-5-14(11-13)25(21,22)18-7-9-23-10-8-18/h3-5,11H,2,6-10,12H2,1H3,(H,17,19).
What are the key properties of [2-oxo-2-(propylamino)ethyl] 3-morpholin-4-ylsulfonylbenzoate?
[2-oxo-2-(propylamino)ethyl] 3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 370.43 g/mol, XLogP of 0.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylamino)ethyl] 3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 7699376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).