methyl 5-[5-(cyclopentylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate

C14H16N2O5S2 — CID 46341371

IUPACmethyl 5-[5-(cyclopentylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(S(=O)(=O)NC3CCCC3)s2)on1
InChIInChI=1S/C14H16N2O5S2/c1-20-14(17)10-8-11(21-15-10)12-6-7-13(22-12)23(18,19)16-9-4-2-3-5-9/h6-9,16H,2-5H2,1H3
InChIKeyKFVBVVKJKLREGV-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.41
Rot. Bonds5

About methyl 5-[5-(cyclopentylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate

methyl 5-[5-(cyclopentylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate (PubChem CID 46341371) has the molecular formula C14H16N2O5S2 and a molecular weight of 356.43 g/mol. Its IUPAC name is methyl 5-[5-(cyclopentylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[5-(cyclopentylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate
PubChem CID46341371
Molecular FormulaC14H16N2O5S2
Molecular Weight356.43 g/mol
Exact Mass356.05
IUPAC Namemethyl 5-[5-(cyclopentylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(S(=O)(=O)NC3CCCC3)s2)on1
InChIInChI=1S/C14H16N2O5S2/c1-20-14(17)10-8-11(21-15-10)12-6-7-13(22-12)23(18,19)16-9-4-2-3-5-9/h6-9,16H,2-5H2,1H3
InChIKeyKFVBVVKJKLREGV-UHFFFAOYSA-N
XLogP2.41
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[5-(cyclopentylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 5-[5-(cyclopentylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate (CID 46341371) is methyl 5-[5-(cyclopentylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 5-[5-(cyclopentylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 5-[5-(cyclopentylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate is COC(=O)c1cc(-c2ccc(S(=O)(=O)NC3CCCC3)s2)on1.
What is the InChIKey of methyl 5-[5-(cyclopentylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate?
The InChIKey is KFVBVVKJKLREGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5S2/c1-20-14(17)10-8-11(21-15-10)12-6-7-13(22-12)23(18,19)16-9-4-2-3-5-9/h6-9,16H,2-5H2,1H3.
What are the key properties of methyl 5-[5-(cyclopentylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate?
methyl 5-[5-(cyclopentylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate has a molecular weight of 356.43 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[5-(cyclopentylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 46341371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).