4-[benzyl(propan-2-yl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide

C21H23N3O4S — CID 7189756

IUPAC4-[benzyl(propan-2-yl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(S(=O)(=O)N(Cc3ccccc3)C(C)C)cc2)no1
InChIInChI=1S/C21H23N3O4S/c1-15(2)24(14-17-7-5-4-6-8-17)29(26,27)19-11-9-18(10-12-19)21(25)22-20-13-16(3)28-23-20/h4-13,15H,14H2,1-3H3,(H,22,23,25)
InChIKeyIXIWWUXRQRPITR-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.83
Rot. Bonds7

About 4-[benzyl(propan-2-yl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide

4-[benzyl(propan-2-yl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide (PubChem CID 7189756) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is 4-[benzyl(propan-2-yl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name4-[benzyl(propan-2-yl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
PubChem CID7189756
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC Name4-[benzyl(propan-2-yl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(S(=O)(=O)N(Cc3ccccc3)C(C)C)cc2)no1
InChIInChI=1S/C21H23N3O4S/c1-15(2)24(14-17-7-5-4-6-8-17)29(26,27)19-11-9-18(10-12-19)21(25)22-20-13-16(3)28-23-20/h4-13,15H,14H2,1-3H3,(H,22,23,25)
InChIKeyIXIWWUXRQRPITR-UHFFFAOYSA-N
XLogP3.83
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(propan-2-yl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The IUPAC name of 4-[benzyl(propan-2-yl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide (CID 7189756) is 4-[benzyl(propan-2-yl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 4-[benzyl(propan-2-yl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 4-[benzyl(propan-2-yl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide is Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(Cc3ccccc3)C(C)C)cc2)no1.
What is the InChIKey of 4-[benzyl(propan-2-yl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The InChIKey is IXIWWUXRQRPITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-15(2)24(14-17-7-5-4-6-8-17)29(26,27)19-11-9-18(10-12-19)21(25)22-20-13-16(3)28-23-20/h4-13,15H,14H2,1-3H3,(H,22,23,25).
What are the key properties of 4-[benzyl(propan-2-yl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
4-[benzyl(propan-2-yl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide has a molecular weight of 413.50 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(propan-2-yl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 7189756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).