N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

C24H29N3O5S — CID 25162380

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccccc2OCc2c(C)noc2C)ccc1C
InChIInChI=1S/C24H29N3O5S/c1-6-27(7-2)33(29,30)23-14-19(13-12-16(23)3)25-24(28)20-10-8-9-11-22(20)31-15-21-17(4)26-32-18(21)5/h8-14H,6-7,15H2,1-5H3,(H,25,28)
InChIKeySCOPYVVEUVAOHD-UHFFFAOYSA-N
MW471.58 g/mol
LogP4.46
Rot. Bonds9

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (PubChem CID 25162380) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
PubChem CID25162380
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccccc2OCc2c(C)noc2C)ccc1C
InChIInChI=1S/C24H29N3O5S/c1-6-27(7-2)33(29,30)23-14-19(13-12-16(23)3)25-24(28)20-10-8-9-11-22(20)31-15-21-17(4)26-32-18(21)5/h8-14H,6-7,15H2,1-5H3,(H,25,28)
InChIKeySCOPYVVEUVAOHD-UHFFFAOYSA-N
XLogP4.46
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (CID 25162380) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccccc2OCc2c(C)noc2C)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The InChIKey is SCOPYVVEUVAOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-6-27(7-2)33(29,30)23-14-19(13-12-16(23)3)25-24(28)20-10-8-9-11-22(20)31-15-21-17(4)26-32-18(21)5/h8-14H,6-7,15H2,1-5H3,(H,25,28).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide has a molecular weight of 471.58 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 25162380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).