(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate

C18H18N2O5S2 — CID 8749615

IUPAC(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)OCc2cc(-c3cccs3)on2)cc1
InChIInChI=1S/C18H18N2O5S2/c1-13-5-7-15(8-6-13)27(22,23)20(2)11-18(21)24-12-14-10-16(25-19-14)17-4-3-9-26-17/h3-10H,11-12H2,1-2H3
InChIKeyCWSIQGYCPPFLAL-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.08
Rot. Bonds7

About (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate (PubChem CID 8749615) has the molecular formula C18H18N2O5S2 and a molecular weight of 406.49 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
PubChem CID8749615
Molecular FormulaC18H18N2O5S2
Molecular Weight406.49 g/mol
Exact Mass406.07
IUPAC Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)OCc2cc(-c3cccs3)on2)cc1
InChIInChI=1S/C18H18N2O5S2/c1-13-5-7-15(8-6-13)27(22,23)20(2)11-18(21)24-12-14-10-16(25-19-14)17-4-3-9-26-17/h3-10H,11-12H2,1-2H3
InChIKeyCWSIQGYCPPFLAL-UHFFFAOYSA-N
XLogP3.08
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-methylphenyl)acetate
CID 8972367
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 31047019
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,4-dimethylbenzoate
CID 8650258
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-hydroxy-4-methylbenzoate
CID 8845331
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoate
CID 35463053
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 4-(dimethylsulfamoyl)benzoate
CID 16869504
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(3-methylbenzoyl)amino]acetate
CID 8743810
N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 166181462
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-oxo-4-phenylbutanoate
CID 26530325
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonylamino)acetate
CID 8749702
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl benzoate
CID 8648321
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3,4-dichlorophenyl)acetate
CID 8649683

Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate (CID 8749615) is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate is Cc1ccc(S(=O)(=O)N(C)CC(=O)OCc2cc(-c3cccs3)on2)cc1.
What is the InChIKey of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is CWSIQGYCPPFLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S2/c1-13-5-7-15(8-6-13)27(22,23)20(2)11-18(21)24-12-14-10-16(25-19-14)17-4-3-9-26-17/h3-10H,11-12H2,1-2H3.
What are the key properties of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 406.49 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 8749615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).