N-(3,5-dimethoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide

C23H26N2O7S — CID 53059982

IUPACN-(3,5-dimethoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide
SMILESCOc1cc(NC(=O)CCS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2OC)cc(OC)c1
InChIInChI=1S/C23H26N2O7S/c1-14-15(2)25-32-23(14)16-6-7-20(31-5)21(10-16)33(27,28)9-8-22(26)24-17-11-18(29-3)13-19(12-17)30-4/h6-7,10-13H,8-9H2,1-5H3,(H,24,26)
InChIKeyOTZOQPFLBXQHQO-UHFFFAOYSA-N
MW474.54 g/mol
LogP3.79
Rot. Bonds9

About N-(3,5-dimethoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide

N-(3,5-dimethoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide (PubChem CID 53059982) has the molecular formula C23H26N2O7S and a molecular weight of 474.54 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide
PubChem CID53059982
Molecular FormulaC23H26N2O7S
Molecular Weight474.54 g/mol
Exact Mass474.15
IUPAC NameN-(3,5-dimethoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide
SMILESCOc1cc(NC(=O)CCS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2OC)cc(OC)c1
InChIInChI=1S/C23H26N2O7S/c1-14-15(2)25-32-23(14)16-6-7-20(31-5)21(10-16)33(27,28)9-8-22(26)24-17-11-18(29-3)13-19(12-17)30-4/h6-7,10-13H,8-9H2,1-5H3,(H,24,26)
InChIKeyOTZOQPFLBXQHQO-UHFFFAOYSA-N
XLogP3.79
TPSA116.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(2,4,6-trimethylphenyl)propanamide
CID 53060009
N-cyclopropyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide
CID 53060006
N-(2,4-dimethoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide
CID 53060057
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
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-(4-fluorophenyl)-3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
CID 53059894
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
ethyl 4-[3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanoylamino]benzoate
CID 22583319
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide
CID 20935605

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide (CID 53059982) is N-(3,5-dimethoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide is COc1cc(NC(=O)CCS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2OC)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide?
The InChIKey is OTZOQPFLBXQHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O7S/c1-14-15(2)25-32-23(14)16-6-7-20(31-5)21(10-16)33(27,28)9-8-22(26)24-17-11-18(29-3)13-19(12-17)30-4/h6-7,10-13H,8-9H2,1-5H3,(H,24,26).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide?
N-(3,5-dimethoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide has a molecular weight of 474.54 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide is sourced from PubChem (CID 53059982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).