N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-(4-propan-2-yloxyphenyl)benzenesulfonamide

C24H30N2O6S — CID 10552477

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-(4-propan-2-yloxyphenyl)benzenesulfonamide
SMILESCOCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C24H30N2O6S/c1-17(2)31-21-12-10-20(11-13-21)22-8-6-7-9-23(22)33(27,28)26(16-30-15-14-29-5)24-18(3)19(4)25-32-24/h6-13,17H,14-16H2,1-5H3
InChIKeyPGIAVOKXQBPAGE-UHFFFAOYSA-N
MW474.58 g/mol
LogP4.56
Rot. Bonds11

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-(4-propan-2-yloxyphenyl)benzenesulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-(4-propan-2-yloxyphenyl)benzenesulfonamide (PubChem CID 10552477) has the molecular formula C24H30N2O6S and a molecular weight of 474.58 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-(4-propan-2-yloxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-(4-propan-2-yloxyphenyl)benzenesulfonamide
PubChem CID10552477
Molecular FormulaC24H30N2O6S
Molecular Weight474.58 g/mol
Exact Mass474.18
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-(4-propan-2-yloxyphenyl)benzenesulfonamide
SMILESCOCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C24H30N2O6S/c1-17(2)31-21-12-10-20(11-13-21)22-8-6-7-9-23(22)33(27,28)26(16-30-15-14-29-5)24-18(3)19(4)25-32-24/h6-13,17H,14-16H2,1-5H3
InChIKeyPGIAVOKXQBPAGE-UHFFFAOYSA-N
XLogP4.56
TPSA91.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 54.56
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-(4-propan-2-yloxyphenyl)benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-(4-propan-2-yloxyphenyl)benzenesulfonamide (CID 10552477) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-(4-propan-2-yloxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-(4-propan-2-yloxyphenyl)benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-(4-propan-2-yloxyphenyl)benzenesulfonamide is COCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(OC(C)C)cc1.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-(4-propan-2-yloxyphenyl)benzenesulfonamide?
The InChIKey is PGIAVOKXQBPAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O6S/c1-17(2)31-21-12-10-20(11-13-21)22-8-6-7-9-23(22)33(27,28)26(16-30-15-14-29-5)24-18(3)19(4)25-32-24/h6-13,17H,14-16H2,1-5H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-(4-propan-2-yloxyphenyl)benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-(4-propan-2-yloxyphenyl)benzenesulfonamide has a molecular weight of 474.58 g/mol, XLogP of 4.56, 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-(2-methoxyethoxymethyl)-2-(4-propan-2-yloxyphenyl)benzenesulfonamide is sourced from PubChem (CID 10552477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).