methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate

C9H11ClN2O6S2 — CID 62957498

IUPACmethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C9H11ClN2O6S2/c1-17-6(13)4-12(5-7(14)18-2)20(15,16)8-3-11-9(10)19-8/h3H,4-5H2,1-2H3
InChIKeyGEZNBQUIXXIHJU-UHFFFAOYSA-N
MW342.78 g/mol
LogP0.13
Rot. Bonds6

About methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 62957498) has the molecular formula C9H11ClN2O6S2 and a molecular weight of 342.78 g/mol. Its IUPAC name is methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID62957498
Molecular FormulaC9H11ClN2O6S2
Molecular Weight342.78 g/mol
Exact Mass341.97
IUPAC Namemethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C9H11ClN2O6S2/c1-17-6(13)4-12(5-7(14)18-2)20(15,16)8-3-11-9(10)19-8/h3H,4-5H2,1-2H3
InChIKeyGEZNBQUIXXIHJU-UHFFFAOYSA-N
XLogP0.13
TPSA102.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate (CID 62957498) is methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is GEZNBQUIXXIHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O6S2/c1-17-6(13)4-12(5-7(14)18-2)20(15,16)8-3-11-9(10)19-8/h3H,4-5H2,1-2H3.
What are the key properties of methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 342.78 g/mol, XLogP of 0.13, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 62957498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).