[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylbutanoate

C23H28N2O6S — CID 24979578

IUPAC[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylbutanoate
SMILESCCC(C(=O)OCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1
InChIInChI=1S/C23H28N2O6S/c1-3-20(18-7-5-4-6-8-18)23(27)31-16-22(26)24-19-10-9-17(2)21(15-19)32(28,29)25-11-13-30-14-12-25/h4-10,15,20H,3,11-14,16H2,1-2H3,(H,24,26)
InChIKeyNMROYUIDMSXJSC-UHFFFAOYSA-N
MW460.55 g/mol
LogP2.69
Rot. Bonds8

About [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylbutanoate

[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylbutanoate (PubChem CID 24979578) has the molecular formula C23H28N2O6S and a molecular weight of 460.55 g/mol. Its IUPAC name is [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylbutanoate.

Molecular Properties

Compound Name[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylbutanoate
PubChem CID24979578
Molecular FormulaC23H28N2O6S
Molecular Weight460.55 g/mol
Exact Mass460.17
IUPAC Name[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylbutanoate
SMILESCCC(C(=O)OCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1
InChIInChI=1S/C23H28N2O6S/c1-3-20(18-7-5-4-6-8-18)23(27)31-16-22(26)24-19-10-9-17(2)21(15-19)32(28,29)25-11-13-30-14-12-25/h4-10,15,20H,3,11-14,16H2,1-2H3,(H,24,26)
InChIKeyNMROYUIDMSXJSC-UHFFFAOYSA-N
XLogP2.69
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylbutanoate?
The IUPAC name of [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylbutanoate (CID 24979578) is [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylbutanoate.
What is the SMILES notation for [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylbutanoate?
The canonical SMILES for [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylbutanoate is CCC(C(=O)OCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1.
What is the InChIKey of [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylbutanoate?
The InChIKey is NMROYUIDMSXJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O6S/c1-3-20(18-7-5-4-6-8-18)23(27)31-16-22(26)24-19-10-9-17(2)21(15-19)32(28,29)25-11-13-30-14-12-25/h4-10,15,20H,3,11-14,16H2,1-2H3,(H,24,26).
What are the key properties of [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylbutanoate?
[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylbutanoate has a molecular weight of 460.55 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylbutanoate is sourced from PubChem (CID 24979578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).