N-(3,5-dimethylphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide

C22H24N2O4S — CID 53059823

IUPACN-(3,5-dimethylphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
SMILESCc1cc(C)cc(NC(=O)CCS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)c1
InChIInChI=1S/C22H24N2O4S/c1-14-9-15(2)11-19(10-14)23-22(25)7-8-29(26,27)21-13-18(6-5-16(21)3)20-12-17(4)24-28-20/h5-6,9-13H,7-8H2,1-4H3,(H,23,25)
InChIKeyVRQGWCXYSCZDOX-UHFFFAOYSA-N
MW412.51 g/mol
LogP4.38
Rot. Bonds6

About N-(3,5-dimethylphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide

N-(3,5-dimethylphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide (PubChem CID 53059823) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
PubChem CID53059823
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC NameN-(3,5-dimethylphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
SMILESCc1cc(C)cc(NC(=O)CCS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)c1
InChIInChI=1S/C22H24N2O4S/c1-14-9-15(2)11-19(10-14)23-22(25)7-8-29(26,27)21-13-18(6-5-16(21)3)20-12-17(4)24-28-20/h5-6,9-13H,7-8H2,1-4H3,(H,23,25)
InChIKeyVRQGWCXYSCZDOX-UHFFFAOYSA-N
XLogP4.38
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
CID 53005351
3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 53059766
N-(2,5-dimethoxyphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
CID 53059815
N-(4-fluorophenyl)-3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
CID 53059894
ethyl 4-[3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanoylamino]benzoate
CID 22583319
2-chloro-N-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]acetamide
CID 71371451
3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 53059944
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 20934938
N-(1,3-benzodioxol-5-yl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide
CID 53060116
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-propan-2-ylbenzenesulfonamide
CID 20934958
N-(2-chlorophenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide
CID 53060143
3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-N-(2-methylphenyl)propanamide
CID 53060095

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide (CID 53059823) is N-(3,5-dimethylphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide is Cc1cc(C)cc(NC(=O)CCS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide?
The InChIKey is VRQGWCXYSCZDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-14-9-15(2)11-19(10-14)23-22(25)7-8-29(26,27)21-13-18(6-5-16(21)3)20-12-17(4)24-28-20/h5-6,9-13H,7-8H2,1-4H3,(H,23,25).
What are the key properties of N-(3,5-dimethylphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide?
N-(3,5-dimethylphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide has a molecular weight of 412.51 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide is sourced from PubChem (CID 53059823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).