N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-(4-formyl-2-propylphenyl)-N-(methoxymethyl)benzenesulfonamide

C23H26N2O5S — CID 11476257

IUPACN-(4,5-dimethyl-1,2-oxazol-3-yl)-2-(4-formyl-2-propylphenyl)-N-(methoxymethyl)benzenesulfonamide
SMILESCCCc1cc(C=O)ccc1-c1ccccc1S(=O)(=O)N(COC)c1noc(C)c1C
InChIInChI=1S/C23H26N2O5S/c1-5-8-19-13-18(14-26)11-12-20(19)21-9-6-7-10-22(21)31(27,28)25(15-29-4)23-16(2)17(3)30-24-23/h6-7,9-14H,5,8,15H2,1-4H3
InChIKeyDHAGNWNTSYKYPM-UHFFFAOYSA-N
MW442.54 g/mol
LogP4.52
Rot. Bonds9

About N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-(4-formyl-2-propylphenyl)-N-(methoxymethyl)benzenesulfonamide

N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-(4-formyl-2-propylphenyl)-N-(methoxymethyl)benzenesulfonamide (PubChem CID 11476257) has the molecular formula C23H26N2O5S and a molecular weight of 442.54 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-(4-formyl-2-propylphenyl)-N-(methoxymethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,2-oxazol-3-yl)-2-(4-formyl-2-propylphenyl)-N-(methoxymethyl)benzenesulfonamide
PubChem CID11476257
Molecular FormulaC23H26N2O5S
Molecular Weight442.54 g/mol
Exact Mass442.16
IUPAC NameN-(4,5-dimethyl-1,2-oxazol-3-yl)-2-(4-formyl-2-propylphenyl)-N-(methoxymethyl)benzenesulfonamide
SMILESCCCc1cc(C=O)ccc1-c1ccccc1S(=O)(=O)N(COC)c1noc(C)c1C
InChIInChI=1S/C23H26N2O5S/c1-5-8-19-13-18(14-26)11-12-20(19)21-9-6-7-10-22(21)31(27,28)25(15-29-4)23-16(2)17(3)30-24-23/h6-7,9-14H,5,8,15H2,1-4H3
InChIKeyDHAGNWNTSYKYPM-UHFFFAOYSA-N
XLogP4.52
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-(4,5-dimethyl-1,2-oxazol-3-yl)-2-(4-formyl-2-propylphenyl)-N-(methoxymethyl)benzenesulfonamide?
The IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-(4-formyl-2-propylphenyl)-N-(methoxymethyl)benzenesulfonamide (CID 11476257) is N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-(4-formyl-2-propylphenyl)-N-(methoxymethyl)benzenesulfonamide.
What is the SMILES notation for N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-(4-formyl-2-propylphenyl)-N-(methoxymethyl)benzenesulfonamide?
The canonical SMILES for N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-(4-formyl-2-propylphenyl)-N-(methoxymethyl)benzenesulfonamide is CCCc1cc(C=O)ccc1-c1ccccc1S(=O)(=O)N(COC)c1noc(C)c1C.
What is the InChIKey of N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-(4-formyl-2-propylphenyl)-N-(methoxymethyl)benzenesulfonamide?
The InChIKey is DHAGNWNTSYKYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5S/c1-5-8-19-13-18(14-26)11-12-20(19)21-9-6-7-10-22(21)31(27,28)25(15-29-4)23-16(2)17(3)30-24-23/h6-7,9-14H,5,8,15H2,1-4H3.
What are the key properties of N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-(4-formyl-2-propylphenyl)-N-(methoxymethyl)benzenesulfonamide?
N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-(4-formyl-2-propylphenyl)-N-(methoxymethyl)benzenesulfonamide has a molecular weight of 442.54 g/mol, XLogP of 4.52, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-(4-formyl-2-propylphenyl)-N-(methoxymethyl)benzenesulfonamide is sourced from PubChem (CID 11476257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).