[2-(cyclohexylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate

C17H24N2O5S — CID 2645852

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H24N2O5S/c1-13-7-9-15(10-8-13)25(22,23)18-11-17(21)24-12-16(20)19-14-5-3-2-4-6-14/h7-10,14,18H,2-6,11-12H2,1H3,(H,19,20)
InChIKeyXCCSOJZVZISEKN-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.27
Rot. Bonds7

About [2-(cyclohexylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate

[2-(cyclohexylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate (PubChem CID 2645852) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
PubChem CID2645852
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H24N2O5S/c1-13-7-9-15(10-8-13)25(22,23)18-11-17(21)24-12-16(20)19-14-5-3-2-4-6-14/h7-10,14,18H,2-6,11-12H2,1H3,(H,19,20)
InChIKeyXCCSOJZVZISEKN-UHFFFAOYSA-N
XLogP1.27
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate (CID 2645852) is [2-(cyclohexylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate is Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC2CCCCC2)cc1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is XCCSOJZVZISEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-13-7-9-15(10-8-13)25(22,23)18-11-17(21)24-12-16(20)19-14-5-3-2-4-6-14/h7-10,14,18H,2-6,11-12H2,1H3,(H,19,20).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
[2-(cyclohexylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 368.46 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 2645852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).