3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;methane

C122H178N30O23S13 — CID 157141720

IUPAC3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;methane
SMILESC.C.C.C.C.C.CC[C@@H](Nc1nsnc1Nc1cccc(S(=O)(=O)N(C)C)c1O)c1cc(C(C)C)co1.CC[C@@H](Nc1nsnc1Nc1cccc(S(=O)(=O)N(C)C)c1O)c1cc(C)co1.CC[C@@H](Nc1nsnc1Nc1cccc(S(=O)(=O)N(C)C)c1O)c1ccc(C)o1.Cc1cc([C@H](Nc2nsnc2Nc2cccc(S(=O)(=O)N(C)C)c2O)C(C)C)oc1C.Cc1ccc([C@H](Nc2nsnc2Nc2cccc(S(=O)(=O)N(C)C)c2O)C(C)(C)C)o1.Cc1ccc([C@H](Nc2nsnc2Nc2cccc(S(=O)(=O)N(C)C)c2O)C(C)(C)C)s1
InChIInChI=1S/3C20H27N5O4S2.C20H27N5O3S3.2C18H23N5O4S2.6CH4/c1-12-10-11-14(29-12)17(20(2,3)4)22-19-18(23-30-24-19)21-13-8-7-9-15(16(13)26)31(27,28)25(5)6;1-11(2)17(15-10-12(3)13(4)29-15)22-20-19(23-30-24-20)21-14-8-7-9-16(18(14)26)31(27,28)25(5)6;1-6-14(16-10-13(11-29-16)12(2)3)21-19-20(24-30-23-19)22-15-8-7-9-17(18(15)26)31(27,28)25(4)5;1-12-10-11-14(29-12)17(20(2,3)4)22-19-18(23-30-24-19)21-13-8-7-9-15(16(13)26)31(27,28)25(5)6;1-5-12(14-9-11(2)10-27-14)19-17-18(22-28-21-17)20-13-7-6-8-15(16(13)24)29(25,26)23(3)4;1-5-12(14-10-9-11(2)27-14)19-17-18(22-28-21-17)20-13-7-6-8-15(16(13)24)29(25,26)23(3)4;;;;;;/h2*7-11,17,26H,1-6H3,(H,21,23)(H,22,24);7-12,14,26H,6H2,1-5H3,(H,21,23)(H,22,24);7-11,17,26H,1-6H3,(H,21,23)(H,22,24);2*6-10,12,24H,5H2,1-4H3,(H,19,21)(H,20,22);6*1H4/t2*17-;14-;17-;2*12-;;;;;;/m011011....../s1
InChIKeyAKGLVNWMFKSMLM-LSJLCAKWSA-N
MW2849.82 g/mol
LogP29.14
Rot. Bonds47

About 3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;methane

3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;methane (PubChem CID 157141720) has the molecular formula C122H178N30O23S13 and a molecular weight of 2849.82 g/mol. Its IUPAC name is 3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;methane.

Molecular Properties

Compound Name3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;methane
PubChem CID157141720
Molecular FormulaC122H178N30O23S13
Molecular Weight2849.82 g/mol
Exact Mass2847.01
IUPAC Name3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;methane
SMILESC.C.C.C.C.C.CC[C@@H](Nc1nsnc1Nc1cccc(S(=O)(=O)N(C)C)c1O)c1cc(C(C)C)co1.CC[C@@H](Nc1nsnc1Nc1cccc(S(=O)(=O)N(C)C)c1O)c1cc(C)co1.CC[C@@H](Nc1nsnc1Nc1cccc(S(=O)(=O)N(C)C)c1O)c1ccc(C)o1.Cc1cc([C@H](Nc2nsnc2Nc2cccc(S(=O)(=O)N(C)C)c2O)C(C)C)oc1C.Cc1ccc([C@H](Nc2nsnc2Nc2cccc(S(=O)(=O)N(C)C)c2O)C(C)(C)C)o1.Cc1ccc([C@H](Nc2nsnc2Nc2cccc(S(=O)(=O)N(C)C)c2O)C(C)(C)C)s1
InChIInChI=1S/3C20H27N5O4S2.C20H27N5O3S3.2C18H23N5O4S2.6CH4/c1-12-10-11-14(29-12)17(20(2,3)4)22-19-18(23-30-24-19)21-13-8-7-9-15(16(13)26)31(27,28)25(5)6;1-11(2)17(15-10-12(3)13(4)29-15)22-20-19(23-30-24-20)21-14-8-7-9-16(18(14)26)31(27,28)25(5)6;1-6-14(16-10-13(11-29-16)12(2)3)21-19-20(24-30-23-19)22-15-8-7-9-17(18(15)26)31(27,28)25(4)5;1-12-10-11-14(29-12)17(20(2,3)4)22-19-18(23-30-24-19)21-13-8-7-9-15(16(13)26)31(27,28)25(5)6;1-5-12(14-9-11(2)10-27-14)19-17-18(22-28-21-17)20-13-7-6-8-15(16(13)24)29(25,26)23(3)4;1-5-12(14-10-9-11(2)27-14)19-17-18(22-28-21-17)20-13-7-6-8-15(16(13)24)29(25,26)23(3)4;;;;;;/h2*7-11,17,26H,1-6H3,(H,21,23)(H,22,24);7-12,14,26H,6H2,1-5H3,(H,21,23)(H,22,24);7-11,17,26H,1-6H3,(H,21,23)(H,22,24);2*6-10,12,24H,5H2,1-4H3,(H,19,21)(H,20,22);6*1H4/t2*17-;14-;17-;2*12-;;;;;;/m011011....../s1
InChIKeyAKGLVNWMFKSMLM-LSJLCAKWSA-N
XLogP29.14
TPSA710.40 Ų
H-Bond Donors18
H-Bond Acceptors54
Rotatable Bonds47
Heavy Atoms188
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002849.82
LogP ≤ 529.14
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;methane with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;methane?
The IUPAC name of 3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;methane (CID 157141720) is 3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;methane.
What is the SMILES notation for 3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;methane?
The canonical SMILES for 3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;methane is C.C.C.C.C.C.CC[C@@H](Nc1nsnc1Nc1cccc(S(=O)(=O)N(C)C)c1O)c1cc(C(C)C)co1.CC[C@@H](Nc1nsnc1Nc1cccc(S(=O)(=O)N(C)C)c1O)c1cc(C)co1.CC[C@@H](Nc1nsnc1Nc1cccc(S(=O)(=O)N(C)C)c1O)c1ccc(C)o1.Cc1cc([C@H](Nc2nsnc2Nc2cccc(S(=O)(=O)N(C)C)c2O)C(C)C)oc1C.Cc1ccc([C@H](Nc2nsnc2Nc2cccc(S(=O)(=O)N(C)C)c2O)C(C)(C)C)o1.Cc1ccc([C@H](Nc2nsnc2Nc2cccc(S(=O)(=O)N(C)C)c2O)C(C)(C)C)s1.
What is the InChIKey of 3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;methane?
The InChIKey is AKGLVNWMFKSMLM-LSJLCAKWSA-N. The full InChI is InChI=1S/3C20H27N5O4S2.C20H27N5O3S3.2C18H23N5O4S2.6CH4/c1-12-10-11-14(29-12)17(20(2,3)4)22-19-18(23-30-24-19)21-13-8-7-9-15(16(13)26)31(27,28)25(5)6;1-11(2)17(15-10-12(3)13(4)29-15)22-20-19(23-30-24-20)21-14-8-7-9-16(18(14)26)31(27,28)25(5)6;1-6-14(16-10-13(11-29-16)12(2)3)21-19-20(24-30-23-19)22-15-8-7-9-17(18(15)26)31(27,28)25(4)5;1-12-10-11-14(29-12)17(20(2,3)4)22-19-18(23-30-24-19)21-13-8-7-9-15(16(13)26)31(27,28)25(5)6;1-5-12(14-9-11(2)10-27-14)19-17-18(22-28-21-17)20-13-7-6-8-15(16(13)24)29(25,26)23(3)4;1-5-12(14-10-9-11(2)27-14)19-17-18(22-28-21-17)20-13-7-6-8-15(16(13)24)29(25,26)23(3)4;;;;;;/h2*7-11,17,26H,1-6H3,(H,21,23)(H,22,24);7-12,14,26H,6H2,1-5H3,(H,21,23)(H,22,24);7-11,17,26H,1-6H3,(H,21,23)(H,22,24);2*6-10,12,24H,5H2,1-4H3,(H,19,21)(H,20,22);6*1H4/t2*17-;14-;17-;2*12-;;;;;;/m011011....../s1.
What are the key properties of 3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;methane?
3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;methane has a molecular weight of 2849.82 g/mol, XLogP of 29.14, 47 rotatable bonds, 18 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;methane is sourced from PubChem (CID 157141720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).