N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[ethoxy(methoxy)methyl]-2-[2-fluoro-4-(2-methylpropyl)phenyl]benzenesulfonamide

C25H31FN2O5S — CID 18754948

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[ethoxy(methoxy)methyl]-2-[2-fluoro-4-(2-methylpropyl)phenyl]benzenesulfonamide
SMILESCCOC(OC)N(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(CC(C)C)cc1F
InChIInChI=1S/C25H31FN2O5S/c1-7-32-25(31-6)28(24-17(4)18(5)27-33-24)34(29,30)23-11-9-8-10-21(23)20-13-12-19(14-16(2)3)15-22(20)26/h8-13,15-16,25H,7,14H2,1-6H3
InChIKeyZAWUYUZAUWKIJL-UHFFFAOYSA-N
MW490.60 g/mol
LogP5.46
Rot. Bonds10

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[ethoxy(methoxy)methyl]-2-[2-fluoro-4-(2-methylpropyl)phenyl]benzenesulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[ethoxy(methoxy)methyl]-2-[2-fluoro-4-(2-methylpropyl)phenyl]benzenesulfonamide (PubChem CID 18754948) has the molecular formula C25H31FN2O5S and a molecular weight of 490.60 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[ethoxy(methoxy)methyl]-2-[2-fluoro-4-(2-methylpropyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[ethoxy(methoxy)methyl]-2-[2-fluoro-4-(2-methylpropyl)phenyl]benzenesulfonamide
PubChem CID18754948
Molecular FormulaC25H31FN2O5S
Molecular Weight490.60 g/mol
Exact Mass490.19
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[ethoxy(methoxy)methyl]-2-[2-fluoro-4-(2-methylpropyl)phenyl]benzenesulfonamide
SMILESCCOC(OC)N(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(CC(C)C)cc1F
InChIInChI=1S/C25H31FN2O5S/c1-7-32-25(31-6)28(24-17(4)18(5)27-33-24)34(29,30)23-11-9-8-10-21(23)20-13-12-19(14-16(2)3)15-22(20)26/h8-13,15-16,25H,7,14H2,1-6H3
InChIKeyZAWUYUZAUWKIJL-UHFFFAOYSA-N
XLogP5.46
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[ethoxy(methoxy)methyl]-2-[2-fluoro-4-(2-methylpropyl)phenyl]benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[ethoxy(methoxy)methyl]-2-[2-fluoro-4-(2-methylpropyl)phenyl]benzenesulfonamide (CID 18754948) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[ethoxy(methoxy)methyl]-2-[2-fluoro-4-(2-methylpropyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[ethoxy(methoxy)methyl]-2-[2-fluoro-4-(2-methylpropyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[ethoxy(methoxy)methyl]-2-[2-fluoro-4-(2-methylpropyl)phenyl]benzenesulfonamide is CCOC(OC)N(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(CC(C)C)cc1F.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[ethoxy(methoxy)methyl]-2-[2-fluoro-4-(2-methylpropyl)phenyl]benzenesulfonamide?
The InChIKey is ZAWUYUZAUWKIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O5S/c1-7-32-25(31-6)28(24-17(4)18(5)27-33-24)34(29,30)23-11-9-8-10-21(23)20-13-12-19(14-16(2)3)15-22(20)26/h8-13,15-16,25H,7,14H2,1-6H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[ethoxy(methoxy)methyl]-2-[2-fluoro-4-(2-methylpropyl)phenyl]benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[ethoxy(methoxy)methyl]-2-[2-fluoro-4-(2-methylpropyl)phenyl]benzenesulfonamide has a molecular weight of 490.60 g/mol, XLogP of 5.46, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[ethoxy(methoxy)methyl]-2-[2-fluoro-4-(2-methylpropyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 18754948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).