[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate

C23H28N2O6S — CID 2364040

IUPAC[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
SMILESCC(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H28N2O6S/c1-18(2)25(16-19-6-4-3-5-7-19)22(26)17-31-23(27)20-8-10-21(11-9-20)32(28,29)24-12-14-30-15-13-24/h3-11,18H,12-17H2,1-2H3
InChIKeyNPVFMPSILSIAPC-UHFFFAOYSA-N
MW460.55 g/mol
LogP2.30
Rot. Bonds8

About [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate

[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate (PubChem CID 2364040) has the molecular formula C23H28N2O6S and a molecular weight of 460.55 g/mol. Its IUPAC name is [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
PubChem CID2364040
Molecular FormulaC23H28N2O6S
Molecular Weight460.55 g/mol
Exact Mass460.17
IUPAC Name[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
SMILESCC(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H28N2O6S/c1-18(2)25(16-19-6-4-3-5-7-19)22(26)17-31-23(27)20-8-10-21(11-9-20)32(28,29)24-12-14-30-15-13-24/h3-11,18H,12-17H2,1-2H3
InChIKeyNPVFMPSILSIAPC-UHFFFAOYSA-N
XLogP2.30
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate (CID 2364040) is [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate is CC(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
The InChIKey is NPVFMPSILSIAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O6S/c1-18(2)25(16-19-6-4-3-5-7-19)22(26)17-31-23(27)20-8-10-21(11-9-20)32(28,29)24-12-14-30-15-13-24/h3-11,18H,12-17H2,1-2H3.
What are the key properties of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate has a molecular weight of 460.55 g/mol, XLogP of 2.30, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 2364040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).