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

C26H34N2O5S — CID 10672587

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(3-methylbutyl)phenyl]benzenesulfonamide
SMILESCOCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(CCC(C)C)cc1
InChIInChI=1S/C26H34N2O5S/c1-19(2)10-11-22-12-14-23(15-13-22)24-8-6-7-9-25(24)34(29,30)28(18-32-17-16-31-5)26-20(3)21(4)27-33-26/h6-9,12-15,19H,10-11,16-18H2,1-5H3
InChIKeyQIJSFDHUKHFNKT-UHFFFAOYSA-N
MW486.63 g/mol
LogP5.36
Rot. Bonds12

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

N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(3-methylbutyl)phenyl]benzenesulfonamide (PubChem CID 10672587) has the molecular formula C26H34N2O5S and a molecular weight of 486.63 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(3-methylbutyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(3-methylbutyl)phenyl]benzenesulfonamide
PubChem CID10672587
Molecular FormulaC26H34N2O5S
Molecular Weight486.63 g/mol
Exact Mass486.22
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(3-methylbutyl)phenyl]benzenesulfonamide
SMILESCOCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(CCC(C)C)cc1
InChIInChI=1S/C26H34N2O5S/c1-19(2)10-11-22-12-14-23(15-13-22)24-8-6-7-9-25(24)34(29,30)28(18-32-17-16-31-5)26-20(3)21(4)27-33-26/h6-9,12-15,19H,10-11,16-18H2,1-5H3
InChIKeyQIJSFDHUKHFNKT-UHFFFAOYSA-N
XLogP5.36
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.63
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[4-(3-methylbutyl)phenyl]benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(3-methylbutyl)phenyl]benzenesulfonamide (CID 10672587) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(3-methylbutyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(3-methylbutyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(3-methylbutyl)phenyl]benzenesulfonamide is COCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(CCC(C)C)cc1.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(3-methylbutyl)phenyl]benzenesulfonamide?
The InChIKey is QIJSFDHUKHFNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O5S/c1-19(2)10-11-22-12-14-23(15-13-22)24-8-6-7-9-25(24)34(29,30)28(18-32-17-16-31-5)26-20(3)21(4)27-33-26/h6-9,12-15,19H,10-11,16-18H2,1-5H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(3-methylbutyl)phenyl]benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(3-methylbutyl)phenyl]benzenesulfonamide has a molecular weight of 486.63 g/mol, XLogP of 5.36, 12 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-(2-methoxyethoxymethyl)-2-[4-(3-methylbutyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 10672587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).