[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate

C16H21ClN2O6S — CID 2362276

IUPAC[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
SMILESCN(CC(=O)OCC(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O6S/c1-19(26(22,23)14-6-4-12(17)5-7-14)10-16(21)25-11-15(20)18-9-13-3-2-8-24-13/h4-7,13H,2-3,8-11H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeyFGOUGDIBYPCCDZ-ZDUSSCGKSA-N
MW404.87 g/mol
LogP0.80
Rot. Bonds8

About [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate

[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate (PubChem CID 2362276) has the molecular formula C16H21ClN2O6S and a molecular weight of 404.87 g/mol. Its IUPAC name is [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate.

Molecular Properties

Compound Name[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
PubChem CID2362276
Molecular FormulaC16H21ClN2O6S
Molecular Weight404.87 g/mol
Exact Mass404.08
IUPAC Name[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
SMILESCN(CC(=O)OCC(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O6S/c1-19(26(22,23)14-6-4-12(17)5-7-14)10-16(21)25-11-15(20)18-9-13-3-2-8-24-13/h4-7,13H,2-3,8-11H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeyFGOUGDIBYPCCDZ-ZDUSSCGKSA-N
XLogP0.80
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.87
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 2971829
[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 15945120
[2-(cycloheptylamino)-2-oxoethyl] (2S)-1-(4-chlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylate
CID 16196861
[2-(Cyclopentylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
CID 2388239
N-((4-Chlorophenyl)sulfonyl)-N-methylglycine 2-amino-2-oxoethyl ester
CID 2429069
[2-(Cyclohexylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]acetate
CID 2450166
2-(4-Chloro-benzenesulfonylamino)-N-cyclopentylcarbamoylmethyl-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3207090
[2-(cyclopropylamino)-2-oxoethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 11920323
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 24980610
2-[(2,5-Dichloro-benzenesulfonyl)-methyl-amino]-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 644774
2-(4-Chloro-benzenesulfonylamino)-N-(tetrahydro-furan-2-ylmethyl)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-acetamide
CID 3207099
[2-(Cyclohexylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate
CID 4602035

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate?
The IUPAC name of [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate (CID 2362276) is [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate.
What is the SMILES notation for [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate?
The canonical SMILES for [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate is CN(CC(=O)OCC(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate?
The InChIKey is FGOUGDIBYPCCDZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21ClN2O6S/c1-19(26(22,23)14-6-4-12(17)5-7-14)10-16(21)25-11-15(20)18-9-13-3-2-8-24-13/h4-7,13H,2-3,8-11H2,1H3,(H,18,20)/t13-/m0/s1.
What are the key properties of [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate?
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate has a molecular weight of 404.87 g/mol, XLogP of 0.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate is sourced from PubChem (CID 2362276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).