3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(2,4,6-trimethylphenyl)propanamide

C24H28N2O5S — CID 53060009

IUPAC3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(2,4,6-trimethylphenyl)propanamide
SMILESCOc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C24H28N2O5S/c1-14-11-15(2)23(16(3)12-14)25-22(27)9-10-32(28,29)21-13-19(7-8-20(21)30-6)24-17(4)18(5)26-31-24/h7-8,11-13H,9-10H2,1-6H3,(H,25,27)
InChIKeyVIOGIIYCEGXBFM-UHFFFAOYSA-N
MW456.56 g/mol
LogP4.69
Rot. Bonds7

About 3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(2,4,6-trimethylphenyl)propanamide

3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 53060009) has the molecular formula C24H28N2O5S and a molecular weight of 456.56 g/mol. Its IUPAC name is 3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID53060009
Molecular FormulaC24H28N2O5S
Molecular Weight456.56 g/mol
Exact Mass456.17
IUPAC Name3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(2,4,6-trimethylphenyl)propanamide
SMILESCOc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C24H28N2O5S/c1-14-11-15(2)23(16(3)12-14)25-22(27)9-10-32(28,29)21-13-19(7-8-20(21)30-6)24-17(4)18(5)26-31-24/h7-8,11-13H,9-10H2,1-6H3,(H,25,27)
InChIKeyVIOGIIYCEGXBFM-UHFFFAOYSA-N
XLogP4.69
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.56
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide
CID 53059982
N-cyclopropyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide
CID 53060006
N-cyclopentyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide
CID 53059980
N-(5-chloro-2-methoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide
CID 53060127
N-(2,4-dimethoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide
CID 53060057
3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(furan-2-ylmethyl)propanamide
CID 53059989
N-(1,3-benzodioxol-5-ylmethyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide
CID 53059996
N-(2-chlorophenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide
CID 53060143
N-(1,3-benzodioxol-5-yl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide
CID 53060116
N-(4-fluorophenyl)-3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
CID 53059894
5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxy-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 20936573
N-[2-(diethylamino)ethyl]-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxybenzenesulfonamide
CID 20936548

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(2,4,6-trimethylphenyl)propanamide (CID 53060009) is 3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(2,4,6-trimethylphenyl)propanamide is COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of 3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is VIOGIIYCEGXBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5S/c1-14-11-15(2)23(16(3)12-14)25-22(27)9-10-32(28,29)21-13-19(7-8-20(21)30-6)24-17(4)18(5)26-31-24/h7-8,11-13H,9-10H2,1-6H3,(H,25,27).
What are the key properties of 3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(2,4,6-trimethylphenyl)propanamide?
3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 456.56 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 53060009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).