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

C18H22F3N5O5S — CID 156549688

IUPACN-[[3-(dimethylamino)-3-oxopropyl]-methylsulfamoyl]-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
SMILESCc1ccc(C(F)(F)F)cc1Nc1nc(C(=O)NS(=O)(=O)N(C)CCC(=O)N(C)C)co1
InChIInChI=1S/C18H22F3N5O5S/c1-11-5-6-12(18(19,20)21)9-13(11)22-17-23-14(10-31-17)16(28)24-32(29,30)26(4)8-7-15(27)25(2)3/h5-6,9-10H,7-8H2,1-4H3,(H,22,23)(H,24,28)
InChIKeyCAYHQIQJYNTWQD-UHFFFAOYSA-N
MW477.47 g/mol
LogP2.13
Rot. Bonds8

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

N-[[3-(dimethylamino)-3-oxopropyl]-methylsulfamoyl]-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide (PubChem CID 156549688) has the molecular formula C18H22F3N5O5S and a molecular weight of 477.47 g/mol. Its IUPAC name is N-[[3-(dimethylamino)-3-oxopropyl]-methylsulfamoyl]-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(dimethylamino)-3-oxopropyl]-methylsulfamoyl]-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
PubChem CID156549688
Molecular FormulaC18H22F3N5O5S
Molecular Weight477.47 g/mol
Exact Mass477.13
IUPAC NameN-[[3-(dimethylamino)-3-oxopropyl]-methylsulfamoyl]-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
SMILESCc1ccc(C(F)(F)F)cc1Nc1nc(C(=O)NS(=O)(=O)N(C)CCC(=O)N(C)C)co1
InChIInChI=1S/C18H22F3N5O5S/c1-11-5-6-12(18(19,20)21)9-13(11)22-17-23-14(10-31-17)16(28)24-32(29,30)26(4)8-7-15(27)25(2)3/h5-6,9-10H,7-8H2,1-4H3,(H,22,23)(H,24,28)
InChIKeyCAYHQIQJYNTWQD-UHFFFAOYSA-N
XLogP2.13
TPSA124.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.47
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
CID 156549834
N-[[(3aS,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]sulfonyl]-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
CID 156549707
N-(3,3-dimethylpyrrolidin-1-yl)sulfonyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
CID 156549852
N-(3-methylpyrrolidin-1-yl)sulfonyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
CID 156549861
2-[2-methyl-5-(trifluoromethyl)anilino]-N-(4-phenylpiperazin-1-yl)sulfonyl-1,3-oxazole-4-carboxamide
CID 156549795
N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
CID 156549717
N-[(7-cyano-1,4-oxazepan-4-yl)sulfonyl]-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
CID 156549667
5-(dimethylsulfamoyl)-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
CID 170532296
2-[2-methyl-5-(2,2,2-trifluoroethyl)anilino]-N-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide
CID 156549487
N-morpholin-4-ylsulfonyl-2-[2-propan-2-yl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
CID 156549831
2-(2,5-dimethylanilino)-N-pyrrolidin-1-ylsulfonyl-1,3-oxazole-4-carboxamide
CID 156549878
3-[methyl-[2-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 120782419

Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylamino)-3-oxopropyl]-methylsulfamoyl]-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[[3-(dimethylamino)-3-oxopropyl]-methylsulfamoyl]-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide (CID 156549688) is N-[[3-(dimethylamino)-3-oxopropyl]-methylsulfamoyl]-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[[3-(dimethylamino)-3-oxopropyl]-methylsulfamoyl]-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[[3-(dimethylamino)-3-oxopropyl]-methylsulfamoyl]-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)CCC(=O)N(C)C)co1.
What is the InChIKey of N-[[3-(dimethylamino)-3-oxopropyl]-methylsulfamoyl]-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide?
The InChIKey is CAYHQIQJYNTWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5O5S/c1-11-5-6-12(18(19,20)21)9-13(11)22-17-23-14(10-31-17)16(28)24-32(29,30)26(4)8-7-15(27)25(2)3/h5-6,9-10H,7-8H2,1-4H3,(H,22,23)(H,24,28).
What are the key properties of N-[[3-(dimethylamino)-3-oxopropyl]-methylsulfamoyl]-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide?
N-[[3-(dimethylamino)-3-oxopropyl]-methylsulfamoyl]-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide has a molecular weight of 477.47 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dimethylamino)-3-oxopropyl]-methylsulfamoyl]-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156549688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).