2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]benzamide

C26H25N3O4S — CID 30888636

IUPAC2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]benzamide
SMILESCNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccccc1-c1ncc(-c2ccc(C)cc2)o1
InChIInChI=1S/C26H25N3O4S/c1-18-11-13-19(14-12-18)24-16-29-26(33-24)23-10-6-5-9-22(23)25(30)28-15-20-7-3-4-8-21(20)17-34(31,32)27-2/h3-14,16,27H,15,17H2,1-2H3,(H,28,30)
InChIKeyMWSMMGNFHFLFJG-UHFFFAOYSA-N
MW475.57 g/mol
LogP4.30
Rot. Bonds8

About 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]benzamide

2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]benzamide (PubChem CID 30888636) has the molecular formula C26H25N3O4S and a molecular weight of 475.57 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]benzamide
PubChem CID30888636
Molecular FormulaC26H25N3O4S
Molecular Weight475.57 g/mol
Exact Mass475.16
IUPAC Name2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]benzamide
SMILESCNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccccc1-c1ncc(-c2ccc(C)cc2)o1
InChIInChI=1S/C26H25N3O4S/c1-18-11-13-19(14-12-18)24-16-29-26(33-24)23-10-6-5-9-22(23)25(30)28-15-20-7-3-4-8-21(20)17-34(31,32)27-2/h3-14,16,27H,15,17H2,1-2H3,(H,28,30)
InChIKeyMWSMMGNFHFLFJG-UHFFFAOYSA-N
XLogP4.30
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 134049112
N-(3-methoxypropyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 31813310
N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 30702962
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide
CID 100512579
2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 37481709
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylbenzamide
CID 100512374
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride
CID 120943363
2-(4-methylphenyl)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 17408196
2-(5-phenyl-1,3-oxazol-2-yl)-N-propylbenzamide
CID 24654497
2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119512405
2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447193
N-[(2,4-dichlorophenyl)methyl]-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502024

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]benzamide (CID 30888636) is 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]benzamide is CNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccccc1-c1ncc(-c2ccc(C)cc2)o1.
What is the InChIKey of 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]benzamide?
The InChIKey is MWSMMGNFHFLFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4S/c1-18-11-13-19(14-12-18)24-16-29-26(33-24)23-10-6-5-9-22(23)25(30)28-15-20-7-3-4-8-21(20)17-34(31,32)27-2/h3-14,16,27H,15,17H2,1-2H3,(H,28,30).
What are the key properties of 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]benzamide?
2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]benzamide has a molecular weight of 475.57 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 30888636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).