N-(1,1-dimethoxyhexan-2-yl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide

C24H30N2O5S — CID 169084357

IUPACN-(1,1-dimethoxyhexan-2-yl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
SMILESCCCCC(NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1)C(OC)OC
InChIInChI=1S/C24H30N2O5S/c1-5-6-12-21(24(29-3)30-4)26-32(27,28)20-15-13-18(14-16-20)22-17(2)31-25-23(22)19-10-8-7-9-11-19/h7-11,13-16,21,24,26H,5-6,12H2,1-4H3
InChIKeySUKCDZRTWPWQBL-UHFFFAOYSA-N
MW458.58 g/mol
LogP4.77
Rot. Bonds11

About N-(1,1-dimethoxyhexan-2-yl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide

N-(1,1-dimethoxyhexan-2-yl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide (PubChem CID 169084357) has the molecular formula C24H30N2O5S and a molecular weight of 458.58 g/mol. Its IUPAC name is N-(1,1-dimethoxyhexan-2-yl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,1-dimethoxyhexan-2-yl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
PubChem CID169084357
Molecular FormulaC24H30N2O5S
Molecular Weight458.58 g/mol
Exact Mass458.19
IUPAC NameN-(1,1-dimethoxyhexan-2-yl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
SMILESCCCCC(NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1)C(OC)OC
InChIInChI=1S/C24H30N2O5S/c1-5-6-12-21(24(29-3)30-4)26-32(27,28)20-15-13-18(14-16-20)22-17(2)31-25-23(22)19-10-8-7-9-11-19/h7-11,13-16,21,24,26H,5-6,12H2,1-4H3
InChIKeySUKCDZRTWPWQBL-UHFFFAOYSA-N
XLogP4.77
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(1,1-dimethoxyhexan-2-yl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dimethoxyhexan-2-yl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of N-(1,1-dimethoxyhexan-2-yl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide (CID 169084357) is N-(1,1-dimethoxyhexan-2-yl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-(1,1-dimethoxyhexan-2-yl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-(1,1-dimethoxyhexan-2-yl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide is CCCCC(NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1)C(OC)OC.
What is the InChIKey of N-(1,1-dimethoxyhexan-2-yl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide?
The InChIKey is SUKCDZRTWPWQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5S/c1-5-6-12-21(24(29-3)30-4)26-32(27,28)20-15-13-18(14-16-20)22-17(2)31-25-23(22)19-10-8-7-9-11-19/h7-11,13-16,21,24,26H,5-6,12H2,1-4H3.
What are the key properties of N-(1,1-dimethoxyhexan-2-yl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide?
N-(1,1-dimethoxyhexan-2-yl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide has a molecular weight of 458.58 g/mol, XLogP of 4.77, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dimethoxyhexan-2-yl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 169084357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).