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

C26H34N2O6S — CID 18754951

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[ethoxy(methoxy)methyl]-5-methoxy-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide
SMILESCCOC(OC)N(c1onc(C)c1C)S(=O)(=O)c1cc(OC)ccc1-c1ccc(CC(C)C)cc1
InChIInChI=1S/C26H34N2O6S/c1-8-33-26(32-7)28(25-18(4)19(5)27-34-25)35(29,30)24-16-22(31-6)13-14-23(24)21-11-9-20(10-12-21)15-17(2)3/h9-14,16-17,26H,8,15H2,1-7H3
InChIKeyGAPVBDYGGPPOFE-UHFFFAOYSA-N
MW502.63 g/mol
LogP5.33
Rot. Bonds11

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

N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[ethoxy(methoxy)methyl]-5-methoxy-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide (PubChem CID 18754951) has the molecular formula C26H34N2O6S and a molecular weight of 502.63 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[ethoxy(methoxy)methyl]-5-methoxy-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[ethoxy(methoxy)methyl]-5-methoxy-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide
PubChem CID18754951
Molecular FormulaC26H34N2O6S
Molecular Weight502.63 g/mol
Exact Mass502.21
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[ethoxy(methoxy)methyl]-5-methoxy-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide
SMILESCCOC(OC)N(c1onc(C)c1C)S(=O)(=O)c1cc(OC)ccc1-c1ccc(CC(C)C)cc1
InChIInChI=1S/C26H34N2O6S/c1-8-33-26(32-7)28(25-18(4)19(5)27-34-25)35(29,30)24-16-22(31-6)13-14-23(24)21-11-9-20(10-12-21)15-17(2)3/h9-14,16-17,26H,8,15H2,1-7H3
InChIKeyGAPVBDYGGPPOFE-UHFFFAOYSA-N
XLogP5.33
TPSA91.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.63
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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]-5-methoxy-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[ethoxy(methoxy)methyl]-5-methoxy-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide (CID 18754951) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[ethoxy(methoxy)methyl]-5-methoxy-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[ethoxy(methoxy)methyl]-5-methoxy-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[ethoxy(methoxy)methyl]-5-methoxy-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide is CCOC(OC)N(c1onc(C)c1C)S(=O)(=O)c1cc(OC)ccc1-c1ccc(CC(C)C)cc1.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[ethoxy(methoxy)methyl]-5-methoxy-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide?
The InChIKey is GAPVBDYGGPPOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O6S/c1-8-33-26(32-7)28(25-18(4)19(5)27-34-25)35(29,30)24-16-22(31-6)13-14-23(24)21-11-9-20(10-12-21)15-17(2)3/h9-14,16-17,26H,8,15H2,1-7H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[ethoxy(methoxy)methyl]-5-methoxy-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[ethoxy(methoxy)methyl]-5-methoxy-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide has a molecular weight of 502.63 g/mol, XLogP of 5.33, 11 rotatable bonds, 0 hydrogen bond donors, and 7 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]-5-methoxy-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 18754951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).