N-methyl-3-[(2R)-2-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-6-yl]-4-[[4-(trifluoromethyl)cyclohexyl]amino]benzenesulfonamide

C20H25F3N4O3S — CID 167308224

IUPACN-methyl-3-[(2R)-2-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-6-yl]-4-[[4-(trifluoromethyl)cyclohexyl]amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC2CCC(C(F)(F)F)CC2)c(-c2cn3c(n2)O[C@H](C)C3)c1
InChIInChI=1S/C20H25F3N4O3S/c1-12-10-27-11-18(26-19(27)30-12)16-9-15(31(28,29)24-2)7-8-17(16)25-14-5-3-13(4-6-14)20(21,22)23/h7-9,11-14,24-25H,3-6,10H2,1-2H3/t12-,13?,14?/m1/s1
InChIKeyLWSHHTHEHATCOS-IYXRBSQSSA-N
MW458.51 g/mol
LogP3.77
Rot. Bonds5

About N-methyl-3-[(2R)-2-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-6-yl]-4-[[4-(trifluoromethyl)cyclohexyl]amino]benzenesulfonamide

N-methyl-3-[(2R)-2-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-6-yl]-4-[[4-(trifluoromethyl)cyclohexyl]amino]benzenesulfonamide (PubChem CID 167308224) has the molecular formula C20H25F3N4O3S and a molecular weight of 458.51 g/mol. Its IUPAC name is N-methyl-3-[(2R)-2-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-6-yl]-4-[[4-(trifluoromethyl)cyclohexyl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-[(2R)-2-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-6-yl]-4-[[4-(trifluoromethyl)cyclohexyl]amino]benzenesulfonamide
PubChem CID167308224
Molecular FormulaC20H25F3N4O3S
Molecular Weight458.51 g/mol
Exact Mass458.16
IUPAC NameN-methyl-3-[(2R)-2-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-6-yl]-4-[[4-(trifluoromethyl)cyclohexyl]amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC2CCC(C(F)(F)F)CC2)c(-c2cn3c(n2)O[C@H](C)C3)c1
InChIInChI=1S/C20H25F3N4O3S/c1-12-10-27-11-18(26-19(27)30-12)16-9-15(31(28,29)24-2)7-8-17(16)25-14-5-3-13(4-6-14)20(21,22)23/h7-9,11-14,24-25H,3-6,10H2,1-2H3/t12-,13?,14?/m1/s1
InChIKeyLWSHHTHEHATCOS-IYXRBSQSSA-N
XLogP3.77
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-methyl-3-[(2R)-2-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-6-yl]-4-[[4-(trifluoromethyl)cyclohexyl]amino]benzenesulfonamide with MolForge

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Related Compounds

N-methyl-5-[(2R)-2-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-6-yl]-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-sulfonamide
CID 167308226
3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-N-methyl-4-[4-(trifluoromethyl)anilino]benzenesulfonamide
CID 167308173
N-methyl-3-[(6R)-6-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 171049373
N-methyl-3-[(6S)-6-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 171049351
3-(6,6-dimethyl-5,7-dihydropyrrolo[1,2-a]imidazol-2-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide
CID 167308272
4-(cyclohexylamino)-3-(1H-imidazol-5-yl)-N-methylbenzenesulfonamide
CID 148692042
4-[[5-[cyclopropyloxy(difluoro)methyl]-2-pyridinyl]amino]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide
CID 166161977
3-N-cyclopropyl-1-N-[4-(trifluoromethyl)cyclohexyl]benzene-1,3-disulfonamide
CID 78842483
3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-4-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]amino]-N-methylbenzenesulfonamide
CID 167308072
N-methyl-3-(1-methylimidazol-4-yl)-4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]benzenesulfonamide
CID 155342881
3-(1-cyclopropylimidazol-4-yl)-N-methyl-4-[[(1Z,3E)-1-(methylideneamino)-3-(trifluoromethyl)penta-1,3-dienyl]amino]benzenesulfonamide
CID 155444282
3-(1-cyclopropylimidazol-4-yl)-N-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 160573067

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2R)-2-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-6-yl]-4-[[4-(trifluoromethyl)cyclohexyl]amino]benzenesulfonamide?
The IUPAC name of N-methyl-3-[(2R)-2-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-6-yl]-4-[[4-(trifluoromethyl)cyclohexyl]amino]benzenesulfonamide (CID 167308224) is N-methyl-3-[(2R)-2-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-6-yl]-4-[[4-(trifluoromethyl)cyclohexyl]amino]benzenesulfonamide.
What is the SMILES notation for N-methyl-3-[(2R)-2-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-6-yl]-4-[[4-(trifluoromethyl)cyclohexyl]amino]benzenesulfonamide?
The canonical SMILES for N-methyl-3-[(2R)-2-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-6-yl]-4-[[4-(trifluoromethyl)cyclohexyl]amino]benzenesulfonamide is CNS(=O)(=O)c1ccc(NC2CCC(C(F)(F)F)CC2)c(-c2cn3c(n2)O[C@H](C)C3)c1.
What is the InChIKey of N-methyl-3-[(2R)-2-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-6-yl]-4-[[4-(trifluoromethyl)cyclohexyl]amino]benzenesulfonamide?
The InChIKey is LWSHHTHEHATCOS-IYXRBSQSSA-N. The full InChI is InChI=1S/C20H25F3N4O3S/c1-12-10-27-11-18(26-19(27)30-12)16-9-15(31(28,29)24-2)7-8-17(16)25-14-5-3-13(4-6-14)20(21,22)23/h7-9,11-14,24-25H,3-6,10H2,1-2H3/t12-,13?,14?/m1/s1.
What are the key properties of N-methyl-3-[(2R)-2-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-6-yl]-4-[[4-(trifluoromethyl)cyclohexyl]amino]benzenesulfonamide?
N-methyl-3-[(2R)-2-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-6-yl]-4-[[4-(trifluoromethyl)cyclohexyl]amino]benzenesulfonamide has a molecular weight of 458.51 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2R)-2-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-6-yl]-4-[[4-(trifluoromethyl)cyclohexyl]amino]benzenesulfonamide is sourced from PubChem (CID 167308224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).