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

C22H24N2O6S — CID 53059815

IUPACN-(2,5-dimethoxyphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
SMILESCOc1ccc(OC)c(NC(=O)CCS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)c1
InChIInChI=1S/C22H24N2O6S/c1-14-5-6-16(20-11-15(2)24-30-20)12-21(14)31(26,27)10-9-22(25)23-18-13-17(28-3)7-8-19(18)29-4/h5-8,11-13H,9-10H2,1-4H3,(H,23,25)
InChIKeyKYDPYCYHLYRURG-UHFFFAOYSA-N
MW444.51 g/mol
LogP3.78
Rot. Bonds8

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

N-(2,5-dimethoxyphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide (PubChem CID 53059815) has the molecular formula C22H24N2O6S and a molecular weight of 444.51 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
PubChem CID53059815
Molecular FormulaC22H24N2O6S
Molecular Weight444.51 g/mol
Exact Mass444.14
IUPAC NameN-(2,5-dimethoxyphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
SMILESCOc1ccc(OC)c(NC(=O)CCS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)c1
InChIInChI=1S/C22H24N2O6S/c1-14-5-6-16(20-11-15(2)24-30-20)12-21(14)31(26,27)10-9-22(25)23-18-13-17(28-3)7-8-19(18)29-4/h5-8,11-13H,9-10H2,1-4H3,(H,23,25)
InChIKeyKYDPYCYHLYRURG-UHFFFAOYSA-N
XLogP3.78
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethylphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
CID 53059823
N-(4-fluorophenyl)-3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
CID 53059894
N-(2,4-dimethoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide
CID 53060057
3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 53059944
N-(5-chloro-2-methoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide
CID 53060127
ethyl 4-[3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanoylamino]benzoate
CID 22583319
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N-[(4-methoxyphenyl)methyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20934937
N-(2,5-dimethoxyphenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide
CID 110679301
3-(2,5-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109040419
N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide
CID 16876325
3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(2,4,6-trimethylphenyl)propanamide
CID 53060009

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide (CID 53059815) is N-(2,5-dimethoxyphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide is COc1ccc(OC)c(NC(=O)CCS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide?
The InChIKey is KYDPYCYHLYRURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6S/c1-14-5-6-16(20-11-15(2)24-30-20)12-21(14)31(26,27)10-9-22(25)23-18-13-17(28-3)7-8-19(18)29-4/h5-8,11-13H,9-10H2,1-4H3,(H,23,25).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide?
N-(2,5-dimethoxyphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide has a molecular weight of 444.51 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide is sourced from PubChem (CID 53059815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).