N-(dimethylsulfamoyl)-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide

C14H15F3N4O4S — CID 156549577

IUPACN-(dimethylsulfamoyl)-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
SMILESCc1ccc(C(F)(F)F)cc1Nc1nc(C(=O)NS(=O)(=O)N(C)C)co1
InChIInChI=1S/C14H15F3N4O4S/c1-8-4-5-9(14(15,16)17)6-10(8)18-13-19-11(7-25-13)12(22)20-26(23,24)21(2)3/h4-7H,1-3H3,(H,18,19)(H,20,22)
InChIKeyURXHCVRBRCIDSV-UHFFFAOYSA-N
MW392.36 g/mol
LogP2.28
Rot. Bonds5

About N-(dimethylsulfamoyl)-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide

N-(dimethylsulfamoyl)-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide (PubChem CID 156549577) has the molecular formula C14H15F3N4O4S and a molecular weight of 392.36 g/mol. Its IUPAC name is N-(dimethylsulfamoyl)-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(dimethylsulfamoyl)-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
PubChem CID156549577
Molecular FormulaC14H15F3N4O4S
Molecular Weight392.36 g/mol
Exact Mass392.08
IUPAC NameN-(dimethylsulfamoyl)-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
SMILESCc1ccc(C(F)(F)F)cc1Nc1nc(C(=O)NS(=O)(=O)N(C)C)co1
InChIInChI=1S/C14H15F3N4O4S/c1-8-4-5-9(14(15,16)17)6-10(8)18-13-19-11(7-25-13)12(22)20-26(23,24)21(2)3/h4-7H,1-3H3,(H,18,19)(H,20,22)
InChIKeyURXHCVRBRCIDSV-UHFFFAOYSA-N
XLogP2.28
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(dimethylsulfamoyl)-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(dimethylsulfamoyl)-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide (CID 156549577) is N-(dimethylsulfamoyl)-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(dimethylsulfamoyl)-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(dimethylsulfamoyl)-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide is Cc1ccc(C(F)(F)F)cc1Nc1nc(C(=O)NS(=O)(=O)N(C)C)co1.
What is the InChIKey of N-(dimethylsulfamoyl)-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide?
The InChIKey is URXHCVRBRCIDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O4S/c1-8-4-5-9(14(15,16)17)6-10(8)18-13-19-11(7-25-13)12(22)20-26(23,24)21(2)3/h4-7H,1-3H3,(H,18,19)(H,20,22).
What are the key properties of N-(dimethylsulfamoyl)-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide?
N-(dimethylsulfamoyl)-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide has a molecular weight of 392.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylsulfamoyl)-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156549577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).