N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

C16H22N4O4S — CID 95781104

IUPACN-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)o1
InChIInChI=1S/C16H22N4O4S/c1-10-15(24-11(2)17-10)16(21)18-13-9-12(25(22,23)20(5)6)7-8-14(13)19(3)4/h7-9H,1-6H3,(H,18,21)
InChIKeyAZMBQYVLEICLAS-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.86
Rot. Bonds5

About N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 95781104) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID95781104
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC NameN-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)o1
InChIInChI=1S/C16H22N4O4S/c1-10-15(24-11(2)17-10)16(21)18-13-9-12(25(22,23)20(5)6)7-8-14(13)19(3)4/h7-9H,1-6H3,(H,18,21)
InChIKeyAZMBQYVLEICLAS-UHFFFAOYSA-N
XLogP1.86
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 31893771
(E)-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 31893838
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 31894215
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]cyclopropanecarboxamide
CID 78796735
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
CID 78835129
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 100775650
5-bromo-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide
CID 30969614
1-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 47745684
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide
CID 119689771
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 134026070
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119689777
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-(2,4-dimethylphenyl)propanamide
CID 33080098

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 95781104) is N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)o1.
What is the InChIKey of N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is AZMBQYVLEICLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-10-15(24-11(2)17-10)16(21)18-13-9-12(25(22,23)20(5)6)7-8-14(13)19(3)4/h7-9H,1-6H3,(H,18,21).
What are the key properties of N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 95781104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).