2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]acetamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]-N-methylacetamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine

C96H116Cl5F14N17O12S10 — CID 158009772

IUPAC2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]acetamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]-N-methylacetamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
SMILESCN(C)[C@@H]1CC[C@@H](C(F)(F)F)C[C@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CN(C)[C@@H]1C[C@@H](C(F)(F)F)CC[C@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CN(C)[C@H]1C[C@@H](C(F)(F)F)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CN(CC(N)=O)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CNC(=O)CN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl
InChIInChI=1S/C20H26ClFN4O3S2.3C19H22ClF4N3O2S2.C19H24ClFN4O3S2/c1-23-19(27)11-26(2)17-6-4-3-5-15(17)25-16-10-14(22)18(9-13(16)21)31(28,29)12-20-24-7-8-30-20;1-27(2)16-4-3-11(19(22,23)24)7-15(16)26-14-9-13(21)17(8-12(14)20)31(28,29)10-18-25-5-6-30-18;2*1-27(2)16-7-11(19(22,23)24)3-4-14(16)26-15-9-13(21)17(8-12(15)20)31(28,29)10-18-25-5-6-30-18;1-25(10-18(22)26)16-5-3-2-4-14(16)24-15-9-13(21)17(8-12(15)20)30(27,28)11-19-23-6-7-29-19/h7-10,15,17,25H,3-6,11-12H2,1-2H3,(H,23,27);5-6,8-9,11,15-16,26H,3-4,7,10H2,1-2H3;2*5-6,8-9,11,14,16,26H,3-4,7,10H2,1-2H3;6-9,14,16,24H,2-5,10-11H2,1H3,(H2,22,26)/t15-,17-;11-,15-,16-;11-,14+,16+;11-,14-,16-;14-,16-/m01000/s1
InChIKeyFESWNLCLTXSSPZ-GKWFJAKISA-N
MW2464.00 g/mol
LogP21.31
Rot. Bonds34

About 2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]acetamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]-N-methylacetamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine

2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]acetamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]-N-methylacetamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine (PubChem CID 158009772) has the molecular formula C96H116Cl5F14N17O12S10 and a molecular weight of 2464.00 g/mol. Its IUPAC name is 2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]acetamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]-N-methylacetamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]acetamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]-N-methylacetamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
PubChem CID158009772
Molecular FormulaC96H116Cl5F14N17O12S10
Molecular Weight2464.00 g/mol
Exact Mass2459.44
IUPAC Name2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]acetamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]-N-methylacetamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
SMILESCN(C)[C@@H]1CC[C@@H](C(F)(F)F)C[C@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CN(C)[C@@H]1C[C@@H](C(F)(F)F)CC[C@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CN(C)[C@H]1C[C@@H](C(F)(F)F)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CN(CC(N)=O)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CNC(=O)CN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl
InChIInChI=1S/C20H26ClFN4O3S2.3C19H22ClF4N3O2S2.C19H24ClFN4O3S2/c1-23-19(27)11-26(2)17-6-4-3-5-15(17)25-16-10-14(22)18(9-13(16)21)31(28,29)12-20-24-7-8-30-20;1-27(2)16-4-3-11(19(22,23)24)7-15(16)26-14-9-13(21)17(8-12(14)20)31(28,29)10-18-25-5-6-30-18;2*1-27(2)16-7-11(19(22,23)24)3-4-14(16)26-15-9-13(21)17(8-12(15)20)31(28,29)10-18-25-5-6-30-18;1-25(10-18(22)26)16-5-3-2-4-14(16)24-15-9-13(21)17(8-12(15)20)30(27,28)11-19-23-6-7-29-19/h7-10,15,17,25H,3-6,11-12H2,1-2H3,(H,23,27);5-6,8-9,11,15-16,26H,3-4,7,10H2,1-2H3;2*5-6,8-9,11,14,16,26H,3-4,7,10H2,1-2H3;6-9,14,16,24H,2-5,10-11H2,1H3,(H2,22,26)/t15-,17-;11-,15-,16-;11-,14+,16+;11-,14-,16-;14-,16-/m01000/s1
InChIKeyFESWNLCLTXSSPZ-GKWFJAKISA-N
XLogP21.31
TPSA383.69 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds34
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002464.00
LogP ≤ 521.31
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Analyze 2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]acetamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]-N-methylacetamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine with MolForge

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

Launch Full Analysis

Related Compounds

(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1S,2S,4S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 157359109
(1R,2R,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1S,2S,4S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 157359110
(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 157359111
(1R,2R,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1S,2S,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 157685197
(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 157685199
5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5S)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(trifluoromethyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4R)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 159680571
5-chloro-4-[[(1S,2S)-2-(dimethylamino)cycloheptyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclopentyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-methylcyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(trifluoromethyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4R)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 159955545
(1R,2R,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;(1S,2S,4S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine
CID 160441442
(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;(1R,2R,4S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine
CID 160441443
(1S,2S,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;(1S,2S,4S)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine
CID 160441444
5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclopentyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-methylcyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5S)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(trifluoromethyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4R)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 160602720
5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-2-fluoro-4-[[(1S,2S)-2-(propylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(1R,2R,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-(2-fluoroethyl)-2-N-methylcyclohexane-1,2-diamine
CID 160801503

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]acetamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]-N-methylacetamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine?
The IUPAC name of 2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]acetamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]-N-methylacetamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine (CID 158009772) is 2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]acetamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]-N-methylacetamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]acetamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]-N-methylacetamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]acetamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]-N-methylacetamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine is CN(C)[C@@H]1CC[C@@H](C(F)(F)F)C[C@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CN(C)[C@@H]1C[C@@H](C(F)(F)F)CC[C@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CN(C)[C@H]1C[C@@H](C(F)(F)F)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CN(CC(N)=O)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.CNC(=O)CN(C)[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2nccs2)cc1Cl.
What is the InChIKey of 2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]acetamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]-N-methylacetamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine?
The InChIKey is FESWNLCLTXSSPZ-GKWFJAKISA-N. The full InChI is InChI=1S/C20H26ClFN4O3S2.3C19H22ClF4N3O2S2.C19H24ClFN4O3S2/c1-23-19(27)11-26(2)17-6-4-3-5-15(17)25-16-10-14(22)18(9-13(16)21)31(28,29)12-20-24-7-8-30-20;1-27(2)16-4-3-11(19(22,23)24)7-15(16)26-14-9-13(21)17(8-12(14)20)31(28,29)10-18-25-5-6-30-18;2*1-27(2)16-7-11(19(22,23)24)3-4-14(16)26-15-9-13(21)17(8-12(15)20)31(28,29)10-18-25-5-6-30-18;1-25(10-18(22)26)16-5-3-2-4-14(16)24-15-9-13(21)17(8-12(15)20)30(27,28)11-19-23-6-7-29-19/h7-10,15,17,25H,3-6,11-12H2,1-2H3,(H,23,27);5-6,8-9,11,15-16,26H,3-4,7,10H2,1-2H3;2*5-6,8-9,11,14,16,26H,3-4,7,10H2,1-2H3;6-9,14,16,24H,2-5,10-11H2,1H3,(H2,22,26)/t15-,17-;11-,15-,16-;11-,14+,16+;11-,14-,16-;14-,16-/m01000/s1.
What are the key properties of 2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]acetamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]-N-methylacetamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine?
2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]acetamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]-N-methylacetamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine has a molecular weight of 2464.00 g/mol, XLogP of 21.31, 34 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]acetamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]-N-methylacetamide;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;(1R,2R,4R)-2-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 158009772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).