[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate

C18H26N2O5S — CID 2379170

IUPAC[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C18H26N2O5S/c1-14-8-10-16(11-9-14)26(23,24)19-12-18(22)25-13-17(21)20(2)15-6-4-3-5-7-15/h8-11,15,19H,3-7,12-13H2,1-2H3
InChIKeySSCKPQSQTPHROV-UHFFFAOYSA-N
MW382.48 g/mol
LogP1.61
Rot. Bonds7

About [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate

[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate (PubChem CID 2379170) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
PubChem CID2379170
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C18H26N2O5S/c1-14-8-10-16(11-9-14)26(23,24)19-12-18(22)25-13-17(21)20(2)15-6-4-3-5-7-15/h8-11,15,19H,3-7,12-13H2,1-2H3
InChIKeySSCKPQSQTPHROV-UHFFFAOYSA-N
XLogP1.61
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate (CID 2379170) is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate is Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N(C)C2CCCCC2)cc1.
What is the InChIKey of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is SSCKPQSQTPHROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-14-8-10-16(11-9-14)26(23,24)19-12-18(22)25-13-17(21)20(2)15-6-4-3-5-7-15/h8-11,15,19H,3-7,12-13H2,1-2H3.
What are the key properties of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 382.48 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 2379170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).