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

C26H34N2O6S — CID 10744050

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[2-methoxy-4-(2-methylpropyl)phenyl]benzenesulfonamide
SMILESCOCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(CC(C)C)cc1OC
InChIInChI=1S/C26H34N2O6S/c1-18(2)15-21-11-12-22(24(16-21)32-6)23-9-7-8-10-25(23)35(29,30)28(17-33-14-13-31-5)26-19(3)20(4)27-34-26/h7-12,16,18H,13-15,17H2,1-6H3
InChIKeyNQDKAOADYRQBOT-UHFFFAOYSA-N
MW502.63 g/mol
LogP4.98
Rot. Bonds12

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

N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[2-methoxy-4-(2-methylpropyl)phenyl]benzenesulfonamide (PubChem CID 10744050) 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-(2-methoxyethoxymethyl)-2-[2-methoxy-4-(2-methylpropyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[2-methoxy-4-(2-methylpropyl)phenyl]benzenesulfonamide
PubChem CID10744050
Molecular FormulaC26H34N2O6S
Molecular Weight502.63 g/mol
Exact Mass502.21
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[2-methoxy-4-(2-methylpropyl)phenyl]benzenesulfonamide
SMILESCOCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(CC(C)C)cc1OC
InChIInChI=1S/C26H34N2O6S/c1-18(2)15-21-11-12-22(24(16-21)32-6)23-9-7-8-10-25(23)35(29,30)28(17-33-14-13-31-5)26-19(3)20(4)27-34-26/h7-12,16,18H,13-15,17H2,1-6H3
InChIKeyNQDKAOADYRQBOT-UHFFFAOYSA-N
XLogP4.98
TPSA91.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.63
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-methoxyethoxymethyl)-2-[2-methoxy-4-(2-methylpropyl)phenyl]benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[2-methoxy-4-(2-methylpropyl)phenyl]benzenesulfonamide (CID 10744050) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[2-methoxy-4-(2-methylpropyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[2-methoxy-4-(2-methylpropyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[2-methoxy-4-(2-methylpropyl)phenyl]benzenesulfonamide is COCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(CC(C)C)cc1OC.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[2-methoxy-4-(2-methylpropyl)phenyl]benzenesulfonamide?
The InChIKey is NQDKAOADYRQBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O6S/c1-18(2)15-21-11-12-22(24(16-21)32-6)23-9-7-8-10-25(23)35(29,30)28(17-33-14-13-31-5)26-19(3)20(4)27-34-26/h7-12,16,18H,13-15,17H2,1-6H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[2-methoxy-4-(2-methylpropyl)phenyl]benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[2-methoxy-4-(2-methylpropyl)phenyl]benzenesulfonamide has a molecular weight of 502.63 g/mol, XLogP of 4.98, 12 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-(2-methoxyethoxymethyl)-2-[2-methoxy-4-(2-methylpropyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 10744050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).