N-benzyl-3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide

C20H22N2O3S — CID 3239540

IUPACN-benzyl-3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H22N2O3S/c1-16-20(17(2)25-21-16)26(23,24)22(15-19-11-7-4-8-12-19)14-13-18-9-5-3-6-10-18/h3-12H,13-15H2,1-2H3
InChIKeyAGBLCCFQXJWYBS-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.73
Rot. Bonds7

About N-benzyl-3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide

N-benzyl-3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide (PubChem CID 3239540) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-benzyl-3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-benzyl-3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide
PubChem CID3239540
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-benzyl-3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H22N2O3S/c1-16-20(17(2)25-21-16)26(23,24)22(15-19-11-7-4-8-12-19)14-13-18-9-5-3-6-10-18/h3-12H,13-15H2,1-2H3
InChIKeyAGBLCCFQXJWYBS-UHFFFAOYSA-N
XLogP3.73
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-benzyl-3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide (CID 3239540) is N-benzyl-3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-benzyl-3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-benzyl-3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide?
The InChIKey is AGBLCCFQXJWYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-16-20(17(2)25-21-16)26(23,24)22(15-19-11-7-4-8-12-19)14-13-18-9-5-3-6-10-18/h3-12H,13-15H2,1-2H3.
What are the key properties of N-benzyl-3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide?
N-benzyl-3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide has a molecular weight of 370.47 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 3239540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).