[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate

C20H28N2O6S — CID 3461972

IUPAC[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
SMILESCN(C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCCCC1
InChIInChI=1S/C20H28N2O6S/c1-21(17-5-3-2-4-6-17)19(23)15-28-20(24)16-7-9-18(10-8-16)29(25,26)22-11-13-27-14-12-22/h7-10,17H,2-6,11-15H2,1H3
InChIKeyMLLLVUNGWVKZLV-UHFFFAOYSA-N
MW424.52 g/mol
LogP1.66
Rot. Bonds6

About [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate

[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate (PubChem CID 3461972) has the molecular formula C20H28N2O6S and a molecular weight of 424.52 g/mol. Its IUPAC name is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
PubChem CID3461972
Molecular FormulaC20H28N2O6S
Molecular Weight424.52 g/mol
Exact Mass424.17
IUPAC Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
SMILESCN(C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCCCC1
InChIInChI=1S/C20H28N2O6S/c1-21(17-5-3-2-4-6-17)19(23)15-28-20(24)16-7-9-18(10-8-16)29(25,26)22-11-13-27-14-12-22/h7-10,17H,2-6,11-15H2,1H3
InChIKeyMLLLVUNGWVKZLV-UHFFFAOYSA-N
XLogP1.66
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate (CID 3461972) is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate is CN(C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
The InChIKey is MLLLVUNGWVKZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O6S/c1-21(17-5-3-2-4-6-17)19(23)15-28-20(24)16-7-9-18(10-8-16)29(25,26)22-11-13-27-14-12-22/h7-10,17H,2-6,11-15H2,1H3.
What are the key properties of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate has a molecular weight of 424.52 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 3461972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).