N-cyclohexyl-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide

C15H17F3N2O3S2 — CID 45106723

IUPACN-cyclohexyl-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1
InChIInChI=1S/C15H17F3N2O3S2/c1-20(10-5-3-2-4-6-10)25(21,22)14-8-7-12(24-14)11-9-13(19-23-11)15(16,17)18/h7-10H,2-6H2,1H3
InChIKeyQEUKLIWBYGNEAQ-UHFFFAOYSA-N
MW394.44 g/mol
LogP4.38
Rot. Bonds4

About N-cyclohexyl-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide

N-cyclohexyl-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide (PubChem CID 45106723) has the molecular formula C15H17F3N2O3S2 and a molecular weight of 394.44 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
PubChem CID45106723
Molecular FormulaC15H17F3N2O3S2
Molecular Weight394.44 g/mol
Exact Mass394.06
IUPAC NameN-cyclohexyl-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1
InChIInChI=1S/C15H17F3N2O3S2/c1-20(10-5-3-2-4-6-10)25(21,22)14-8-7-12(24-14)11-9-13(19-23-11)15(16,17)18/h7-10H,2-6H2,1H3
InChIKeyQEUKLIWBYGNEAQ-UHFFFAOYSA-N
XLogP4.38
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide?
The IUPAC name of N-cyclohexyl-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide (CID 45106723) is N-cyclohexyl-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-cyclohexyl-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1.
What is the InChIKey of N-cyclohexyl-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide?
The InChIKey is QEUKLIWBYGNEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O3S2/c1-20(10-5-3-2-4-6-10)25(21,22)14-8-7-12(24-14)11-9-13(19-23-11)15(16,17)18/h7-10H,2-6H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide?
N-cyclohexyl-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide has a molecular weight of 394.44 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 45106723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).