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

C16H19F3N4O4S — CID 170442171

IUPACN-[methyl(propan-2-yl)sulfamoyl]-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(C)C)co1
InChIInChI=1S/C16H19F3N4O4S/c1-9(2)23(4)28(25,26)22-14(24)13-8-27-15(21-13)20-12-7-11(16(17,18)19)6-5-10(12)3/h5-9H,1-4H3,(H,20,21)(H,22,24)
InChIKeyFVCAEQYCWWHXIA-UHFFFAOYSA-N
MW420.41 g/mol
LogP3.06
Rot. Bonds6

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

N-[methyl(propan-2-yl)sulfamoyl]-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide (PubChem CID 170442171) has the molecular formula C16H19F3N4O4S and a molecular weight of 420.41 g/mol. Its IUPAC name is N-[methyl(propan-2-yl)sulfamoyl]-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[methyl(propan-2-yl)sulfamoyl]-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
PubChem CID170442171
Molecular FormulaC16H19F3N4O4S
Molecular Weight420.41 g/mol
Exact Mass420.11
IUPAC NameN-[methyl(propan-2-yl)sulfamoyl]-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(C)C)co1
InChIInChI=1S/C16H19F3N4O4S/c1-9(2)23(4)28(25,26)22-14(24)13-8-27-15(21-13)20-12-7-11(16(17,18)19)6-5-10(12)3/h5-9H,1-4H3,(H,20,21)(H,22,24)
InChIKeyFVCAEQYCWWHXIA-UHFFFAOYSA-N
XLogP3.06
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.41
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[methyl(propan-2-yl)sulfamoyl]-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[methyl(propan-2-yl)sulfamoyl]-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide (CID 170442171) is N-[methyl(propan-2-yl)sulfamoyl]-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[methyl(propan-2-yl)sulfamoyl]-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[methyl(propan-2-yl)sulfamoyl]-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(C)C)co1.
What is the InChIKey of N-[methyl(propan-2-yl)sulfamoyl]-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide?
The InChIKey is FVCAEQYCWWHXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O4S/c1-9(2)23(4)28(25,26)22-14(24)13-8-27-15(21-13)20-12-7-11(16(17,18)19)6-5-10(12)3/h5-9H,1-4H3,(H,20,21)(H,22,24).
What are the key properties of N-[methyl(propan-2-yl)sulfamoyl]-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide?
N-[methyl(propan-2-yl)sulfamoyl]-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide has a molecular weight of 420.41 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methyl(propan-2-yl)sulfamoyl]-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 170442171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).