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

C17H22N2O6S — CID 5166849

IUPAC[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate
SMILESCc1ccc(NC(=O)COC(=O)C2CC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H22N2O6S/c1-12-2-5-14(18-16(20)11-25-17(21)13-3-4-13)10-15(12)26(22,23)19-6-8-24-9-7-19/h2,5,10,13H,3-4,6-9,11H2,1H3,(H,18,20)
InChIKeyAMBXVEUHGQYXOU-UHFFFAOYSA-N
MW382.44 g/mol
LogP0.91
Rot. Bonds6

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

[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate (PubChem CID 5166849) has the molecular formula C17H22N2O6S and a molecular weight of 382.44 g/mol. Its IUPAC name is [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate
PubChem CID5166849
Molecular FormulaC17H22N2O6S
Molecular Weight382.44 g/mol
Exact Mass382.12
IUPAC Name[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate
SMILESCc1ccc(NC(=O)COC(=O)C2CC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H22N2O6S/c1-12-2-5-14(18-16(20)11-25-17(21)13-3-4-13)10-15(12)26(22,23)19-6-8-24-9-7-19/h2,5,10,13H,3-4,6-9,11H2,1H3,(H,18,20)
InChIKeyAMBXVEUHGQYXOU-UHFFFAOYSA-N
XLogP0.91
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 50.91
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] cyclopropanecarboxylate?
The IUPAC name of [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate (CID 5166849) is [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate?
The canonical SMILES for [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate is Cc1ccc(NC(=O)COC(=O)C2CC2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate?
The InChIKey is AMBXVEUHGQYXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O6S/c1-12-2-5-14(18-16(20)11-25-17(21)13-3-4-13)10-15(12)26(22,23)19-6-8-24-9-7-19/h2,5,10,13H,3-4,6-9,11H2,1H3,(H,18,20).
What are the key properties of [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate?
[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate has a molecular weight of 382.44 g/mol, XLogP of 0.91, 6 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] cyclopropanecarboxylate is sourced from PubChem (CID 5166849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).