2-(2-benzyl-5-thiophen-2-yl-1,3-oxazol-4-yl)benzenesulfonamide

C20H16N2O3S2 — CID 67623352

IUPAC2-(2-benzyl-5-thiophen-2-yl-1,3-oxazol-4-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1nc(Cc2ccccc2)oc1-c1cccs1
InChIInChI=1S/C20H16N2O3S2/c21-27(23,24)17-11-5-4-9-15(17)19-20(16-10-6-12-26-16)25-18(22-19)13-14-7-2-1-3-8-14/h1-12H,13H2,(H2,21,23,24)
InChIKeyGQMBXAMDTXASDH-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.31
Rot. Bonds5

About 2-(2-benzyl-5-thiophen-2-yl-1,3-oxazol-4-yl)benzenesulfonamide

2-(2-benzyl-5-thiophen-2-yl-1,3-oxazol-4-yl)benzenesulfonamide (PubChem CID 67623352) has the molecular formula C20H16N2O3S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-(2-benzyl-5-thiophen-2-yl-1,3-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(2-benzyl-5-thiophen-2-yl-1,3-oxazol-4-yl)benzenesulfonamide
PubChem CID67623352
Molecular FormulaC20H16N2O3S2
Molecular Weight396.49 g/mol
Exact Mass396.06
IUPAC Name2-(2-benzyl-5-thiophen-2-yl-1,3-oxazol-4-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1nc(Cc2ccccc2)oc1-c1cccs1
InChIInChI=1S/C20H16N2O3S2/c21-27(23,24)17-11-5-4-9-15(17)19-20(16-10-6-12-26-16)25-18(22-19)13-14-7-2-1-3-8-14/h1-12H,13H2,(H2,21,23,24)
InChIKeyGQMBXAMDTXASDH-UHFFFAOYSA-N
XLogP4.31
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-5-thiophen-2-yl-1,3-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of 2-(2-benzyl-5-thiophen-2-yl-1,3-oxazol-4-yl)benzenesulfonamide (CID 67623352) is 2-(2-benzyl-5-thiophen-2-yl-1,3-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-(2-benzyl-5-thiophen-2-yl-1,3-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2-(2-benzyl-5-thiophen-2-yl-1,3-oxazol-4-yl)benzenesulfonamide is NS(=O)(=O)c1ccccc1-c1nc(Cc2ccccc2)oc1-c1cccs1.
What is the InChIKey of 2-(2-benzyl-5-thiophen-2-yl-1,3-oxazol-4-yl)benzenesulfonamide?
The InChIKey is GQMBXAMDTXASDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S2/c21-27(23,24)17-11-5-4-9-15(17)19-20(16-10-6-12-26-16)25-18(22-19)13-14-7-2-1-3-8-14/h1-12H,13H2,(H2,21,23,24).
What are the key properties of 2-(2-benzyl-5-thiophen-2-yl-1,3-oxazol-4-yl)benzenesulfonamide?
2-(2-benzyl-5-thiophen-2-yl-1,3-oxazol-4-yl)benzenesulfonamide has a molecular weight of 396.49 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-5-thiophen-2-yl-1,3-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 67623352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).