[2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate

C17H22Cl2N2O5S — CID 18277091

IUPAC[2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
SMILESO=C(COC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)NCC1CCCCC1
InChIInChI=1S/C17H22Cl2N2O5S/c18-14-7-6-13(8-15(14)19)27(24,25)21-10-17(23)26-11-16(22)20-9-12-4-2-1-3-5-12/h6-8,12,21H,1-5,9-11H2,(H,20,22)
InChIKeyLSXMKEPNYLYROQ-UHFFFAOYSA-N
MW437.35 g/mol
LogP2.51
Rot. Bonds8

About [2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate

[2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate (PubChem CID 18277091) has the molecular formula C17H22Cl2N2O5S and a molecular weight of 437.35 g/mol. Its IUPAC name is [2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
PubChem CID18277091
Molecular FormulaC17H22Cl2N2O5S
Molecular Weight437.35 g/mol
Exact Mass436.06
IUPAC Name[2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
SMILESO=C(COC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)NCC1CCCCC1
InChIInChI=1S/C17H22Cl2N2O5S/c18-14-7-6-13(8-15(14)19)27(24,25)21-10-17(23)26-11-16(22)20-9-12-4-2-1-3-5-12/h6-8,12,21H,1-5,9-11H2,(H,20,22)
InChIKeyLSXMKEPNYLYROQ-UHFFFAOYSA-N
XLogP2.51
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 7906475
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetate
CID 18268679
[2-(4-chloroanilino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 35986124
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 33296744
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 7994086
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843883
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7570270
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7570267
(4-bromophenyl)methyl 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 1218601
[2-(N-methylanilino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 46794889
[2-(cyclohexylamino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961771
(1-amino-1-oxopropan-2-yl) 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 46794901

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate?
The IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate (CID 18277091) is [2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate?
The canonical SMILES for [2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate is O=C(COC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)NCC1CCCCC1.
What is the InChIKey of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate?
The InChIKey is LSXMKEPNYLYROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O5S/c18-14-7-6-13(8-15(14)19)27(24,25)21-10-17(23)26-11-16(22)20-9-12-4-2-1-3-5-12/h6-8,12,21H,1-5,9-11H2,(H,20,22).
What are the key properties of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate?
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate has a molecular weight of 437.35 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 18277091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).