propan-2-yl 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]acetate

C14H16N2O4S2 — CID 24633794

IUPACpropan-2-yl 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]acetate
SMILESCC(C)OC(=O)CN(c1nccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H16N2O4S2/c1-11(2)20-13(17)10-16(14-15-8-9-21-14)22(18,19)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
InChIKeyANKKYXWEDURZPS-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.29
Rot. Bonds6

About propan-2-yl 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]acetate

propan-2-yl 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]acetate (PubChem CID 24633794) has the molecular formula C14H16N2O4S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is propan-2-yl 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]acetate
PubChem CID24633794
Molecular FormulaC14H16N2O4S2
Molecular Weight340.43 g/mol
Exact Mass340.06
IUPAC Namepropan-2-yl 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]acetate
SMILESCC(C)OC(=O)CN(c1nccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H16N2O4S2/c1-11(2)20-13(17)10-16(14-15-8-9-21-14)22(18,19)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
InChIKeyANKKYXWEDURZPS-UHFFFAOYSA-N
XLogP2.29
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]acetate?
The IUPAC name of propan-2-yl 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]acetate (CID 24633794) is propan-2-yl 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]acetate.
What is the SMILES notation for propan-2-yl 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]acetate?
The canonical SMILES for propan-2-yl 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]acetate is CC(C)OC(=O)CN(c1nccs1)S(=O)(=O)c1ccccc1.
What is the InChIKey of propan-2-yl 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]acetate?
The InChIKey is ANKKYXWEDURZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S2/c1-11(2)20-13(17)10-16(14-15-8-9-21-14)22(18,19)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3.
What are the key properties of propan-2-yl 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]acetate?
propan-2-yl 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]acetate has a molecular weight of 340.43 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]acetate is sourced from PubChem (CID 24633794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).