4-tert-butyl-N-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]benzenesulfonamide

C23H28N2O3S — CID 53051089

IUPAC4-tert-butyl-N-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]benzenesulfonamide
SMILESCc1ccc(-c2nc(CN(C)S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(C)o2)cc1
InChIInChI=1S/C23H28N2O3S/c1-16-7-9-18(10-8-16)22-24-21(17(2)28-22)15-25(6)29(26,27)20-13-11-19(12-14-20)23(3,4)5/h7-14H,15H2,1-6H3
InChIKeyKQMYFEIPRXXREN-UHFFFAOYSA-N
MW412.56 g/mol
LogP5.08
Rot. Bonds5

About 4-tert-butyl-N-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]benzenesulfonamide

4-tert-butyl-N-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]benzenesulfonamide (PubChem CID 53051089) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]benzenesulfonamide
PubChem CID53051089
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC Name4-tert-butyl-N-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]benzenesulfonamide
SMILESCc1ccc(-c2nc(CN(C)S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(C)o2)cc1
InChIInChI=1S/C23H28N2O3S/c1-16-7-9-18(10-8-16)22-24-21(17(2)28-22)15-25(6)29(26,27)20-13-11-19(12-14-20)23(3,4)5/h7-14H,15H2,1-6H3
InChIKeyKQMYFEIPRXXREN-UHFFFAOYSA-N
XLogP5.08
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.56
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-N-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4-methoxy-N-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 20955807
N-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,4-dimethylbenzenesulfonamide
CID 53051081
2-(4-tert-butylphenyl)-5-methyl-4-propyl-1,3-oxazole
CID 59026488
N-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylbenzenesulfonamide
CID 53051082
N-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanesulfonamide
CID 53051056
4-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 22771461
N-methyl-2-(2-methylimidazol-1-yl)-N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine
CID 56714212
4-fluoro-N-(2-methoxyphenyl)-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 24623442
[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanamine
CID 46344053
ethane;4-ethyl-5-methyl-2-(4-methylphenyl)-1,3-oxazole
CID 142936013
4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110724675
4-[4-[(4-tert-butylphenyl)sulfonylmethyl]-5-methyl-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 56963458

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]benzenesulfonamide (CID 53051089) is 4-tert-butyl-N-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]benzenesulfonamide is Cc1ccc(-c2nc(CN(C)S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(C)o2)cc1.
What is the InChIKey of 4-tert-butyl-N-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]benzenesulfonamide?
The InChIKey is KQMYFEIPRXXREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3S/c1-16-7-9-18(10-8-16)22-24-21(17(2)28-22)15-25(6)29(26,27)20-13-11-19(12-14-20)23(3,4)5/h7-14H,15H2,1-6H3.
What are the key properties of 4-tert-butyl-N-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]benzenesulfonamide?
4-tert-butyl-N-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]benzenesulfonamide has a molecular weight of 412.56 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 53051089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).