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

C21H22N2O5S — CID 53005351

IUPACN-(3-methoxyphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
SMILESCOc1cccc(NC(=O)CCS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)c1
InChIInChI=1S/C21H22N2O5S/c1-14-7-8-16(19-11-15(2)23-28-19)12-20(14)29(25,26)10-9-21(24)22-17-5-4-6-18(13-17)27-3/h4-8,11-13H,9-10H2,1-3H3,(H,22,24)
InChIKeyXGPKAABUZSKXIJ-UHFFFAOYSA-N
MW414.48 g/mol
LogP3.77
Rot. Bonds7

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

N-(3-methoxyphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide (PubChem CID 53005351) has the molecular formula C21H22N2O5S and a molecular weight of 414.48 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
PubChem CID53005351
Molecular FormulaC21H22N2O5S
Molecular Weight414.48 g/mol
Exact Mass414.12
IUPAC NameN-(3-methoxyphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
SMILESCOc1cccc(NC(=O)CCS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)c1
InChIInChI=1S/C21H22N2O5S/c1-14-7-8-16(19-11-15(2)23-28-19)12-20(14)29(25,26)10-9-21(24)22-17-5-4-6-18(13-17)27-3/h4-8,11-13H,9-10H2,1-3H3,(H,22,24)
InChIKeyXGPKAABUZSKXIJ-UHFFFAOYSA-N
XLogP3.77
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethoxyphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
CID 53059815
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
3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 53059766
N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 3421684
3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 53059944
N-(3-methoxyphenyl)-3-(4-methylanilino)propanamide
CID 109034467
3-(3-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109039607
N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide
CID 110468427
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-methylphenyl)acetamide
CID 16878981
3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-methoxyphenyl)propanamide
CID 46377654
methyl 3-(N-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylanilino)propanoate
CID 24793684

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide?
The IUPAC name of N-(3-methoxyphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide (CID 53005351) is N-(3-methoxyphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide is COc1cccc(NC(=O)CCS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide?
The InChIKey is XGPKAABUZSKXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5S/c1-14-7-8-16(19-11-15(2)23-28-19)12-20(14)29(25,26)10-9-21(24)22-17-5-4-6-18(13-17)27-3/h4-8,11-13H,9-10H2,1-3H3,(H,22,24).
What are the key properties of N-(3-methoxyphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide?
N-(3-methoxyphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide has a molecular weight of 414.48 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide is sourced from PubChem (CID 53005351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).