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

C16H14N2O5S2 — CID 20936288

IUPACmethyl 4-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3cc(C)no3)s2)cc1
InChIInChI=1S/C16H14N2O5S2/c1-10-9-13(23-17-10)14-7-8-15(24-14)25(20,21)18-12-5-3-11(4-6-12)16(19)22-2/h3-9,18H,1-2H3
InChIKeyPUPGLWWBDKXYIE-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.30
Rot. Bonds5

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

methyl 4-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate (PubChem CID 20936288) has the molecular formula C16H14N2O5S2 and a molecular weight of 378.43 g/mol. Its IUPAC name is methyl 4-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate
PubChem CID20936288
Molecular FormulaC16H14N2O5S2
Molecular Weight378.43 g/mol
Exact Mass378.03
IUPAC Namemethyl 4-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3cc(C)no3)s2)cc1
InChIInChI=1S/C16H14N2O5S2/c1-10-9-13(23-17-10)14-7-8-15(24-14)25(20,21)18-12-5-3-11(4-6-12)16(19)22-2/h3-9,18H,1-2H3
InChIKeyPUPGLWWBDKXYIE-UHFFFAOYSA-N
XLogP3.30
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate?
The IUPAC name of methyl 4-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate (CID 20936288) is methyl 4-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate.
What is the SMILES notation for methyl 4-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate?
The canonical SMILES for methyl 4-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate is COC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3cc(C)no3)s2)cc1.
What is the InChIKey of methyl 4-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate?
The InChIKey is PUPGLWWBDKXYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5S2/c1-10-9-13(23-17-10)14-7-8-15(24-14)25(20,21)18-12-5-3-11(4-6-12)16(19)22-2/h3-9,18H,1-2H3.
What are the key properties of methyl 4-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate?
methyl 4-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate has a molecular weight of 378.43 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate is sourced from PubChem (CID 20936288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).