[2-(benzylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate

C18H19ClN2O5S — CID 2417702

IUPAC[2-(benzylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
SMILESCN(CC(=O)OCC(=O)NCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O5S/c1-21(27(24,25)16-9-7-15(19)8-10-16)12-18(23)26-13-17(22)20-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,20,22)
InChIKeyBQVLZYHPIDTUEO-UHFFFAOYSA-N
MW410.88 g/mol
LogP1.82
Rot. Bonds8

About [2-(benzylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate

[2-(benzylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate (PubChem CID 2417702) has the molecular formula C18H19ClN2O5S and a molecular weight of 410.88 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
PubChem CID2417702
Molecular FormulaC18H19ClN2O5S
Molecular Weight410.88 g/mol
Exact Mass410.07
IUPAC Name[2-(benzylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
SMILESCN(CC(=O)OCC(=O)NCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O5S/c1-21(27(24,25)16-9-7-15(19)8-10-16)12-18(23)26-13-17(22)20-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,20,22)
InChIKeyBQVLZYHPIDTUEO-UHFFFAOYSA-N
XLogP1.82
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(Benzylamino)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 2081530
(E)-N-[(2-chlorophenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2391161
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (E)-3-(2-chlorophenyl)prop-2-enoate
CID 2398642
[2-(Benzhydrylamino)-2-oxoethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 2419462
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 3130118
[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 5213585
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate
CID 5981212
N1-(4-chlorobenzyl)-N2-((3-((2,5-difluorophenyl)sulfonyl)oxazolidin-2-yl)methyl)oxalamide
CID 18561455
[2-(Cyclopentylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
CID 2388239
[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 2394606
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2110230
2-(N-benzyl4-chlorobenzenesulfonamido)-N-methylacetamide
CID 1119910

Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate (CID 2417702) is [2-(benzylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate is CN(CC(=O)OCC(=O)NCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate?
The InChIKey is BQVLZYHPIDTUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O5S/c1-21(27(24,25)16-9-7-15(19)8-10-16)12-18(23)26-13-17(22)20-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,20,22).
What are the key properties of [2-(benzylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate?
[2-(benzylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate has a molecular weight of 410.88 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate is sourced from PubChem (CID 2417702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).