[2-(2-methylpropylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate

C17H24N2O6S — CID 4843377

IUPAC[2-(2-methylpropylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
SMILESCC(C)CNC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H24N2O6S/c1-13(2)11-18-16(20)12-25-17(21)14-3-5-15(6-4-14)26(22,23)19-7-9-24-10-8-19/h3-6,13H,7-12H2,1-2H3,(H,18,20)
InChIKeyPHTWYMLEKCMPSA-UHFFFAOYSA-N
MW384.45 g/mol
LogP0.64
Rot. Bonds7

About [2-(2-methylpropylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate

[2-(2-methylpropylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate (PubChem CID 4843377) has the molecular formula C17H24N2O6S and a molecular weight of 384.45 g/mol. Its IUPAC name is [2-(2-methylpropylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(2-methylpropylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
PubChem CID4843377
Molecular FormulaC17H24N2O6S
Molecular Weight384.45 g/mol
Exact Mass384.14
IUPAC Name[2-(2-methylpropylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
SMILESCC(C)CNC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H24N2O6S/c1-13(2)11-18-16(20)12-25-17(21)14-3-5-15(6-4-14)26(22,23)19-7-9-24-10-8-19/h3-6,13H,7-12H2,1-2H3,(H,18,20)
InChIKeyPHTWYMLEKCMPSA-UHFFFAOYSA-N
XLogP0.64
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate (CID 4843377) is [2-(2-methylpropylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-(2-methylpropylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-(2-methylpropylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate is CC(C)CNC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of [2-(2-methylpropylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
The InChIKey is PHTWYMLEKCMPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6S/c1-13(2)11-18-16(20)12-25-17(21)14-3-5-15(6-4-14)26(22,23)19-7-9-24-10-8-19/h3-6,13H,7-12H2,1-2H3,(H,18,20).
What are the key properties of [2-(2-methylpropylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
[2-(2-methylpropylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate has a molecular weight of 384.45 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 4843377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).