N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(hydroxymethyl)-2-propylphenyl]-N-(1-methoxyethyl)benzenesulfonamide

C24H30N2O5S — CID 22574978

IUPACN-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(hydroxymethyl)-2-propylphenyl]-N-(1-methoxyethyl)benzenesulfonamide
SMILESCCCc1cc(CO)ccc1-c1ccccc1S(=O)(=O)N(c1noc(C)c1C)C(C)OC
InChIInChI=1S/C24H30N2O5S/c1-6-9-20-14-19(15-27)12-13-21(20)22-10-7-8-11-23(22)32(28,29)26(18(4)30-5)24-16(2)17(3)31-25-24/h7-8,10-14,18,27H,6,9,15H2,1-5H3
InChIKeyXWILEYIQSWJVFF-UHFFFAOYSA-N
MW458.58 g/mol
LogP4.59
Rot. Bonds9

About N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(hydroxymethyl)-2-propylphenyl]-N-(1-methoxyethyl)benzenesulfonamide

N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(hydroxymethyl)-2-propylphenyl]-N-(1-methoxyethyl)benzenesulfonamide (PubChem CID 22574978) has the molecular formula C24H30N2O5S and a molecular weight of 458.58 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(hydroxymethyl)-2-propylphenyl]-N-(1-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(hydroxymethyl)-2-propylphenyl]-N-(1-methoxyethyl)benzenesulfonamide
PubChem CID22574978
Molecular FormulaC24H30N2O5S
Molecular Weight458.58 g/mol
Exact Mass458.19
IUPAC NameN-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(hydroxymethyl)-2-propylphenyl]-N-(1-methoxyethyl)benzenesulfonamide
SMILESCCCc1cc(CO)ccc1-c1ccccc1S(=O)(=O)N(c1noc(C)c1C)C(C)OC
InChIInChI=1S/C24H30N2O5S/c1-6-9-20-14-19(15-27)12-13-21(20)22-10-7-8-11-23(22)32(28,29)26(18(4)30-5)24-16(2)17(3)31-25-24/h7-8,10-14,18,27H,6,9,15H2,1-5H3
InChIKeyXWILEYIQSWJVFF-UHFFFAOYSA-N
XLogP4.59
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-(hydroxymethyl)-2-propylphenyl]-N-(1-methoxyethyl)benzenesulfonamide?
The IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(hydroxymethyl)-2-propylphenyl]-N-(1-methoxyethyl)benzenesulfonamide (CID 22574978) is N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(hydroxymethyl)-2-propylphenyl]-N-(1-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(hydroxymethyl)-2-propylphenyl]-N-(1-methoxyethyl)benzenesulfonamide?
The canonical SMILES for N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(hydroxymethyl)-2-propylphenyl]-N-(1-methoxyethyl)benzenesulfonamide is CCCc1cc(CO)ccc1-c1ccccc1S(=O)(=O)N(c1noc(C)c1C)C(C)OC.
What is the InChIKey of N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(hydroxymethyl)-2-propylphenyl]-N-(1-methoxyethyl)benzenesulfonamide?
The InChIKey is XWILEYIQSWJVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5S/c1-6-9-20-14-19(15-27)12-13-21(20)22-10-7-8-11-23(22)32(28,29)26(18(4)30-5)24-16(2)17(3)31-25-24/h7-8,10-14,18,27H,6,9,15H2,1-5H3.
What are the key properties of N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(hydroxymethyl)-2-propylphenyl]-N-(1-methoxyethyl)benzenesulfonamide?
N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(hydroxymethyl)-2-propylphenyl]-N-(1-methoxyethyl)benzenesulfonamide has a molecular weight of 458.58 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 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-(hydroxymethyl)-2-propylphenyl]-N-(1-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 22574978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).