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

C25H32N2O5S — CID 10528443

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide
SMILESCOCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(CC(C)C)cc1
InChIInChI=1S/C25H32N2O5S/c1-18(2)16-21-10-12-22(13-11-21)23-8-6-7-9-24(23)33(28,29)27(17-31-15-14-30-5)25-19(3)20(4)26-32-25/h6-13,18H,14-17H2,1-5H3
InChIKeySYFNZHDUYBQHLE-UHFFFAOYSA-N
MW472.61 g/mol
LogP4.97
Rot. Bonds11

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

N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide (PubChem CID 10528443) has the molecular formula C25H32N2O5S and a molecular weight of 472.61 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide
PubChem CID10528443
Molecular FormulaC25H32N2O5S
Molecular Weight472.61 g/mol
Exact Mass472.20
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide
SMILESCOCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(CC(C)C)cc1
InChIInChI=1S/C25H32N2O5S/c1-18(2)16-21-10-12-22(13-11-21)23-8-6-7-9-24(23)33(28,29)27(17-31-15-14-30-5)25-19(3)20(4)26-32-25/h6-13,18H,14-17H2,1-5H3
InChIKeySYFNZHDUYBQHLE-UHFFFAOYSA-N
XLogP4.97
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 54.97
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-(2-methylpropyl)phenyl]benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide (CID 10528443) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide is COCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(CC(C)C)cc1.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide?
The InChIKey is SYFNZHDUYBQHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5S/c1-18(2)16-21-10-12-22(13-11-21)23-8-6-7-9-24(23)33(28,29)27(17-31-15-14-30-5)25-19(3)20(4)26-32-25/h6-13,18H,14-17H2,1-5H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide has a molecular weight of 472.61 g/mol, XLogP of 4.97, 11 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-(2-methylpropyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 10528443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).