methyl 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetate

C16H20N2O6S — CID 4121115

IUPACmethyl 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetate
SMILESCCOc1ccc(N(CC(=O)OC)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C16H20N2O6S/c1-5-23-14-8-6-13(7-9-14)18(10-15(19)22-4)25(20,21)16-11(2)17-24-12(16)3/h6-9H,5,10H2,1-4H3
InChIKeyWBFRVAPIDHCURX-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.06
Rot. Bonds7

About methyl 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetate

methyl 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetate (PubChem CID 4121115) has the molecular formula C16H20N2O6S and a molecular weight of 368.41 g/mol. Its IUPAC name is methyl 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetate.

Molecular Properties

Compound Namemethyl 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetate
PubChem CID4121115
Molecular FormulaC16H20N2O6S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC Namemethyl 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetate
SMILESCCOc1ccc(N(CC(=O)OC)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C16H20N2O6S/c1-5-23-14-8-6-13(7-9-14)18(10-15(19)22-4)25(20,21)16-11(2)17-24-12(16)3/h6-9H,5,10H2,1-4H3
InChIKeyWBFRVAPIDHCURX-UHFFFAOYSA-N
XLogP2.06
TPSA98.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetate?
The IUPAC name of methyl 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetate (CID 4121115) is methyl 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetate.
What is the SMILES notation for methyl 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetate?
The canonical SMILES for methyl 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetate is CCOc1ccc(N(CC(=O)OC)S(=O)(=O)c2c(C)noc2C)cc1.
What is the InChIKey of methyl 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetate?
The InChIKey is WBFRVAPIDHCURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O6S/c1-5-23-14-8-6-13(7-9-14)18(10-15(19)22-4)25(20,21)16-11(2)17-24-12(16)3/h6-9H,5,10H2,1-4H3.
What are the key properties of methyl 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetate?
methyl 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetate has a molecular weight of 368.41 g/mol, XLogP of 2.06, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetate is sourced from PubChem (CID 4121115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).