5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]thiophene-2-sulfonamide

C17H18N2O4S2 — CID 53103047

IUPAC5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]thiophene-2-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)o1
InChIInChI=1S/C17H18N2O4S2/c1-11-5-6-13(22-11)9-19-25(20,21)16-8-7-15(24-16)14-10-18-17(23-14)12-3-2-4-12/h5-8,10,12,19H,2-4,9H2,1H3
InChIKeyJGYPABFTXOZKAS-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.05
Rot. Bonds6

About 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]thiophene-2-sulfonamide

5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]thiophene-2-sulfonamide (PubChem CID 53103047) has the molecular formula C17H18N2O4S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]thiophene-2-sulfonamide
PubChem CID53103047
Molecular FormulaC17H18N2O4S2
Molecular Weight378.48 g/mol
Exact Mass378.07
IUPAC Name5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]thiophene-2-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)o1
InChIInChI=1S/C17H18N2O4S2/c1-11-5-6-13(22-11)9-19-25(20,21)16-8-7-15(24-16)14-10-18-17(23-14)12-3-2-4-12/h5-8,10,12,19H,2-4,9H2,1H3
InChIKeyJGYPABFTXOZKAS-UHFFFAOYSA-N
XLogP4.05
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]thiophene-2-sulfonamide (CID 53103047) is 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]thiophene-2-sulfonamide is Cc1ccc(CNS(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)o1.
What is the InChIKey of 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is JGYPABFTXOZKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S2/c1-11-5-6-13(22-11)9-19-25(20,21)16-8-7-15(24-16)14-10-18-17(23-14)12-3-2-4-12/h5-8,10,12,19H,2-4,9H2,1H3.
What are the key properties of 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]thiophene-2-sulfonamide?
5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 378.48 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 53103047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).