[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxybenzoate

C22H26N2O7S — CID 4262839

IUPAC[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C
InChIInChI=1S/C22H26N2O7S/c1-3-30-20-7-5-4-6-18(20)22(26)31-15-21(25)23-19-14-17(9-8-16(19)2)32(27,28)24-10-12-29-13-11-24/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,25)
InChIKeyJEFBOUGGDCTNGW-UHFFFAOYSA-N
MW462.52 g/mol
LogP2.21
Rot. Bonds8

About [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxybenzoate

[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxybenzoate (PubChem CID 4262839) has the molecular formula C22H26N2O7S and a molecular weight of 462.52 g/mol. Its IUPAC name is [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxybenzoate.

Molecular Properties

Compound Name[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxybenzoate
PubChem CID4262839
Molecular FormulaC22H26N2O7S
Molecular Weight462.52 g/mol
Exact Mass462.15
IUPAC Name[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C
InChIInChI=1S/C22H26N2O7S/c1-3-30-20-7-5-4-6-18(20)22(26)31-15-21(25)23-19-14-17(9-8-16(19)2)32(27,28)24-10-12-29-13-11-24/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,25)
InChIKeyJEFBOUGGDCTNGW-UHFFFAOYSA-N
XLogP2.21
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxybenzoate?
The IUPAC name of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxybenzoate (CID 4262839) is [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxybenzoate.
What is the SMILES notation for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxybenzoate?
The canonical SMILES for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxybenzoate is CCOc1ccccc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C.
What is the InChIKey of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxybenzoate?
The InChIKey is JEFBOUGGDCTNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O7S/c1-3-30-20-7-5-4-6-18(20)22(26)31-15-21(25)23-19-14-17(9-8-16(19)2)32(27,28)24-10-12-29-13-11-24/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,25).
What are the key properties of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxybenzoate?
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxybenzoate has a molecular weight of 462.52 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxybenzoate is sourced from PubChem (CID 4262839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).