[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate

C21H24N2O7S — CID 24981841

IUPAC[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
SMILESCOc1ccccc1CNC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H24N2O7S/c1-28-19-8-3-2-5-17(19)14-22-20(24)15-30-21(25)16-6-4-7-18(13-16)31(26,27)23-9-11-29-12-10-23/h2-8,13H,9-12,14-15H2,1H3,(H,22,24)
InChIKeyQYUKXXWKHCIVQY-UHFFFAOYSA-N
MW448.50 g/mol
LogP1.19
Rot. Bonds8

About [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate (PubChem CID 24981841) has the molecular formula C21H24N2O7S and a molecular weight of 448.50 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
PubChem CID24981841
Molecular FormulaC21H24N2O7S
Molecular Weight448.50 g/mol
Exact Mass448.13
IUPAC Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
SMILESCOc1ccccc1CNC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H24N2O7S/c1-28-19-8-3-2-5-17(19)14-22-20(24)15-30-21(25)16-6-4-7-18(13-16)31(26,27)23-9-11-29-12-10-23/h2-8,13H,9-12,14-15H2,1H3,(H,22,24)
InChIKeyQYUKXXWKHCIVQY-UHFFFAOYSA-N
XLogP1.19
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate (CID 24981841) is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate is COc1ccccc1CNC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is QYUKXXWKHCIVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O7S/c1-28-19-8-3-2-5-17(19)14-22-20(24)15-30-21(25)16-6-4-7-18(13-16)31(26,27)23-9-11-29-12-10-23/h2-8,13H,9-12,14-15H2,1H3,(H,22,24).
What are the key properties of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate?
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 448.50 g/mol, XLogP of 1.19, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 24981841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).