3-[benzyl(methyl)sulfamoyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methylbenzamide

C23H27N3O5S — CID 55652909

IUPAC3-[benzyl(methyl)sulfamoyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2c(C)noc2C)cc1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C23H27N3O5S/c1-16-20(17(2)31-24-16)15-25(3)23(27)19-11-12-21(30-5)22(13-19)32(28,29)26(4)14-18-9-7-6-8-10-18/h6-13H,14-15H2,1-5H3
InChIKeyXTKKHHUHRLNLFC-UHFFFAOYSA-N
MW457.55 g/mol
LogP3.39
Rot. Bonds8

About 3-[benzyl(methyl)sulfamoyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methylbenzamide

3-[benzyl(methyl)sulfamoyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methylbenzamide (PubChem CID 55652909) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is 3-[benzyl(methyl)sulfamoyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-[benzyl(methyl)sulfamoyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methylbenzamide
PubChem CID55652909
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC Name3-[benzyl(methyl)sulfamoyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2c(C)noc2C)cc1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C23H27N3O5S/c1-16-20(17(2)31-24-16)15-25(3)23(27)19-11-12-21(30-5)22(13-19)32(28,29)26(4)14-18-9-7-6-8-10-18/h6-13H,14-15H2,1-5H3
InChIKeyXTKKHHUHRLNLFC-UHFFFAOYSA-N
XLogP3.39
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[benzyl(methyl)sulfamoyl]-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide
CID 31986975
(5-methyl-1,2-oxazol-3-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate
CID 28577191
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55621630
3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119503968
3-[benzyl(methyl)sulfamoyl]-N-cyclopentyl-4-methoxy-N-propan-2-ylbenzamide
CID 56517189
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-ethoxyphenyl)methyl]-3-methoxy-N-methylbenzamide
CID 27822856
N-benzyl-4-methoxy-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 40742269
2-ethoxyethyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate
CID 24530085
methyl 3-[benzyl-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]amino]propanoate
CID 55513076
N-[3-[benzyl(methyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26945772
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 27774718
3-[benzyl(methyl)sulfamoyl]-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methoxybenzamide
CID 55361577

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)sulfamoyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methylbenzamide?
The IUPAC name of 3-[benzyl(methyl)sulfamoyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methylbenzamide (CID 55652909) is 3-[benzyl(methyl)sulfamoyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-[benzyl(methyl)sulfamoyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methylbenzamide?
The canonical SMILES for 3-[benzyl(methyl)sulfamoyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)Cc2c(C)noc2C)cc1S(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(methyl)sulfamoyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methylbenzamide?
The InChIKey is XTKKHHUHRLNLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-16-20(17(2)31-24-16)15-25(3)23(27)19-11-12-21(30-5)22(13-19)32(28,29)26(4)14-18-9-7-6-8-10-18/h6-13H,14-15H2,1-5H3.
What are the key properties of 3-[benzyl(methyl)sulfamoyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methylbenzamide?
3-[benzyl(methyl)sulfamoyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methylbenzamide has a molecular weight of 457.55 g/mol, XLogP of 3.39, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)sulfamoyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 55652909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).