N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide

C20H21N3O4S — CID 55522198

IUPACN-(2,3-dimethyl-5-sulfamoylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)Cc2nc(-c3ccccc3)oc2C)c1C
InChIInChI=1S/C20H21N3O4S/c1-12-9-16(28(21,25)26)10-17(13(12)2)22-19(24)11-18-14(3)27-20(23-18)15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,22,24)(H2,21,25,26)
InChIKeyWPRGTHSEIIZLBS-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.10
Rot. Bonds5

About N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide

N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide (PubChem CID 55522198) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-5-sulfamoylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
PubChem CID55522198
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-(2,3-dimethyl-5-sulfamoylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)Cc2nc(-c3ccccc3)oc2C)c1C
InChIInChI=1S/C20H21N3O4S/c1-12-9-16(28(21,25)26)10-17(13(12)2)22-19(24)11-18-14(3)27-20(23-18)15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,22,24)(H2,21,25,26)
InChIKeyWPRGTHSEIIZLBS-UHFFFAOYSA-N
XLogP3.10
TPSA115.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-naphthalen-1-ylacetamide
CID 16614398
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55645161
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16622288
2-hydroxy-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoic acid
CID 22087427
4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 16620994
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-quinolin-8-ylacetamide
CID 16622456
N-(2-chloro-4,6-dimethylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16621749
N-[2,5-dimethoxy-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]phenyl]benzamide
CID 16614507
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2-propoxyphenyl)acetamide
CID 16614535
diethyl 5-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzene-1,3-dicarboxylate
CID 46563552
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 55952063
N-(1-amino-2-methylpropan-2-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 119523291

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide (CID 55522198) is N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide is Cc1cc(S(N)(=O)=O)cc(NC(=O)Cc2nc(-c3ccccc3)oc2C)c1C.
What is the InChIKey of N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The InChIKey is WPRGTHSEIIZLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-12-9-16(28(21,25)26)10-17(13(12)2)22-19(24)11-18-14(3)27-20(23-18)15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,22,24)(H2,21,25,26).
What are the key properties of N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide has a molecular weight of 399.47 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 55522198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).