6-chloro-3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;N,N-diethyl-3-hydroxy-4-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide;N,N-diethyl-3-hydroxy-4-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide;4-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;4-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;methane

C127H195ClN30O30S16 — CID 162230657

IUPAC6-chloro-3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;N,N-diethyl-3-hydroxy-4-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide;N,N-diethyl-3-hydroxy-4-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide;4-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;4-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;methane
SMILESC.C.C.C.C.C.CCN(CC)S(=O)(=O)c1scc(NC2=NS(=O)N=C2N[C@@H](c2cc(C(C)C)co2)C(C)C)c1O.CCN(CC)S(=O)(=O)c1scc(NC2=NS(=O)N=C2N[C@@H](c2cc(C)c(C)o2)C(C)C)c1O.CCN(CC)S(=O)(=O)c1scc(NC2=NS(=O)N=C2N[C@@H](c2ccc(C)o2)C(C)(C)C)c1O.CC[C@@H](NC1=NS(=O)N=C1Nc1csc(S(=O)(=O)N(CC)CC)c1O)c1cc(C(C)C)co1.Cc1cc([C@H](NC2=NS(=O)N=C2Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2O)C(C)C)oc1C.Cc1cc([C@H](NC2=NS(=O)N=C2Nc2cccc(S(=O)(=O)N(C)C)c2O)C(C)C)oc1C
InChIInChI=1S/C21H31N5O5S3.C20H26ClN5O5S2.3C20H29N5O5S3.C20H27N5O5S2.6CH4/c1-7-26(8-2)34(29,30)21-18(27)15(11-32-21)22-19-20(25-33(28)24-19)23-17(13(5)6)16-9-14(10-31-16)12(3)4;1-10(2)16(15-9-11(3)12(4)31-15)23-20-19(24-32(28)25-20)22-14-8-7-13(21)18(17(14)27)33(29,30)26(5)6;1-7-25(8-2)33(28,29)20-17(26)14(10-31-20)21-18-19(24-32(27)23-18)22-16(11(3)4)15-9-12(5)13(6)30-15;1-7-25(8-2)33(28,29)19-15(26)13(11-31-19)21-17-18(24-32(27)23-17)22-16(20(4,5)6)14-10-9-12(3)30-14;1-6-14(16-9-13(10-30-16)12(4)5)21-18-19(24-32(27)23-18)22-15-11-31-20(17(15)26)33(28,29)25(7-2)8-3;1-11(2)17(15-10-12(3)13(4)30-15)22-20-19(23-31(27)24-20)21-14-8-7-9-16(18(14)26)32(28,29)25(5)6;;;;;;/h9-13,17,27H,7-8H2,1-6H3,(H,22,24)(H,23,25);7-10,16,27H,1-6H3,(H,22,24)(H,23,25);2*9-11,16,26H,7-8H2,1-6H3,(H,21,23)(H,22,24);9-12,14,26H,6-8H2,1-5H3,(H,21,23)(H,22,24);7-11,17,26H,1-6H3,(H,21,23)(H,22,24);6*1H4/t17-,33?;3*16-,32?;14-,32?;17-,31?;;;;;;/m111011....../s1
InChIKeyZVJLONWXUXGTEI-ZLYHJLMISA-N
MW3170.66 g/mol
LogP24.53
Rot. Bonds45

About 6-chloro-3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;N,N-diethyl-3-hydroxy-4-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide;N,N-diethyl-3-hydroxy-4-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide;4-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;4-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;methane

6-chloro-3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;N,N-diethyl-3-hydroxy-4-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide;N,N-diethyl-3-hydroxy-4-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide;4-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;4-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;methane (PubChem CID 162230657) has the molecular formula C127H195ClN30O30S16 and a molecular weight of 3170.66 g/mol. Its IUPAC name is 6-chloro-3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;N,N-diethyl-3-hydroxy-4-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide;N,N-diethyl-3-hydroxy-4-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide;4-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;4-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;methane.

Molecular Properties

Compound Name6-chloro-3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;N,N-diethyl-3-hydroxy-4-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide;N,N-diethyl-3-hydroxy-4-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide;4-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;4-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;methane
PubChem CID162230657
Molecular FormulaC127H195ClN30O30S16
Molecular Weight3170.66 g/mol
Exact Mass3166.99
IUPAC Name6-chloro-3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;N,N-diethyl-3-hydroxy-4-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide;N,N-diethyl-3-hydroxy-4-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide;4-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;4-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;methane
SMILESC.C.C.C.C.C.CCN(CC)S(=O)(=O)c1scc(NC2=NS(=O)N=C2N[C@@H](c2cc(C(C)C)co2)C(C)C)c1O.CCN(CC)S(=O)(=O)c1scc(NC2=NS(=O)N=C2N[C@@H](c2cc(C)c(C)o2)C(C)C)c1O.CCN(CC)S(=O)(=O)c1scc(NC2=NS(=O)N=C2N[C@@H](c2ccc(C)o2)C(C)(C)C)c1O.CC[C@@H](NC1=NS(=O)N=C1Nc1csc(S(=O)(=O)N(CC)CC)c1O)c1cc(C(C)C)co1.Cc1cc([C@H](NC2=NS(=O)N=C2Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2O)C(C)C)oc1C.Cc1cc([C@H](NC2=NS(=O)N=C2Nc2cccc(S(=O)(=O)N(C)C)c2O)C(C)C)oc1C
InChIInChI=1S/C21H31N5O5S3.C20H26ClN5O5S2.3C20H29N5O5S3.C20H27N5O5S2.6CH4/c1-7-26(8-2)34(29,30)21-18(27)15(11-32-21)22-19-20(25-33(28)24-19)23-17(13(5)6)16-9-14(10-31-16)12(3)4;1-10(2)16(15-9-11(3)12(4)31-15)23-20-19(24-32(28)25-20)22-14-8-7-13(21)18(17(14)27)33(29,30)26(5)6;1-7-25(8-2)33(28,29)20-17(26)14(10-31-20)21-18-19(24-32(27)23-18)22-16(11(3)4)15-9-12(5)13(6)30-15;1-7-25(8-2)33(28,29)19-15(26)13(11-31-19)21-17-18(24-32(27)23-17)22-16(20(4,5)6)14-10-9-12(3)30-14;1-6-14(16-9-13(10-30-16)12(4)5)21-18-19(24-32(27)23-18)22-15-11-31-20(17(15)26)33(28,29)25(7-2)8-3;1-11(2)17(15-10-12(3)13(4)30-15)22-20-19(23-31(27)24-20)21-14-8-7-9-16(18(14)26)32(28,29)25(5)6;;;;;;/h9-13,17,27H,7-8H2,1-6H3,(H,22,24)(H,23,25);7-10,16,27H,1-6H3,(H,22,24)(H,23,25);2*9-11,16,26H,7-8H2,1-6H3,(H,21,23)(H,22,24);9-12,14,26H,6-8H2,1-5H3,(H,21,23)(H,22,24);7-11,17,26H,1-6H3,(H,21,23)(H,22,24);6*1H4/t17-,33?;3*16-,32?;14-,32?;17-,31?;;;;;;/m111011....../s1
InChIKeyZVJLONWXUXGTEI-ZLYHJLMISA-N
XLogP24.53
TPSA819.60 Ų
H-Bond Donors18
H-Bond Acceptors46
Rotatable Bonds45
Heavy Atoms204
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003170.66
LogP ≤ 524.53
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 6-chloro-3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;N,N-diethyl-3-hydroxy-4-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide;N,N-diethyl-3-hydroxy-4-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide;4-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;4-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;N,N-diethyl-3-hydroxy-4-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide;N,N-diethyl-3-hydroxy-4-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide;4-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;4-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;methane?
The IUPAC name of 6-chloro-3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;N,N-diethyl-3-hydroxy-4-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide;N,N-diethyl-3-hydroxy-4-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide;4-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;4-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;methane (CID 162230657) is 6-chloro-3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;N,N-diethyl-3-hydroxy-4-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide;N,N-diethyl-3-hydroxy-4-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide;4-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;4-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;methane.
What is the SMILES notation for 6-chloro-3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;N,N-diethyl-3-hydroxy-4-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide;N,N-diethyl-3-hydroxy-4-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide;4-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;4-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;methane?
The canonical SMILES for 6-chloro-3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;N,N-diethyl-3-hydroxy-4-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide;N,N-diethyl-3-hydroxy-4-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide;4-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;4-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;methane is C.C.C.C.C.C.CCN(CC)S(=O)(=O)c1scc(NC2=NS(=O)N=C2N[C@@H](c2cc(C(C)C)co2)C(C)C)c1O.CCN(CC)S(=O)(=O)c1scc(NC2=NS(=O)N=C2N[C@@H](c2cc(C)c(C)o2)C(C)C)c1O.CCN(CC)S(=O)(=O)c1scc(NC2=NS(=O)N=C2N[C@@H](c2ccc(C)o2)C(C)(C)C)c1O.CC[C@@H](NC1=NS(=O)N=C1Nc1csc(S(=O)(=O)N(CC)CC)c1O)c1cc(C(C)C)co1.Cc1cc([C@H](NC2=NS(=O)N=C2Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2O)C(C)C)oc1C.Cc1cc([C@H](NC2=NS(=O)N=C2Nc2cccc(S(=O)(=O)N(C)C)c2O)C(C)C)oc1C.
What is the InChIKey of 6-chloro-3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;N,N-diethyl-3-hydroxy-4-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide;N,N-diethyl-3-hydroxy-4-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide;4-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;4-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;methane?
The InChIKey is ZVJLONWXUXGTEI-ZLYHJLMISA-N. The full InChI is InChI=1S/C21H31N5O5S3.C20H26ClN5O5S2.3C20H29N5O5S3.C20H27N5O5S2.6CH4/c1-7-26(8-2)34(29,30)21-18(27)15(11-32-21)22-19-20(25-33(28)24-19)23-17(13(5)6)16-9-14(10-31-16)12(3)4;1-10(2)16(15-9-11(3)12(4)31-15)23-20-19(24-32(28)25-20)22-14-8-7-13(21)18(17(14)27)33(29,30)26(5)6;1-7-25(8-2)33(28,29)20-17(26)14(10-31-20)21-18-19(24-32(27)23-18)22-16(11(3)4)15-9-12(5)13(6)30-15;1-7-25(8-2)33(28,29)19-15(26)13(11-31-19)21-17-18(24-32(27)23-17)22-16(20(4,5)6)14-10-9-12(3)30-14;1-6-14(16-9-13(10-30-16)12(4)5)21-18-19(24-32(27)23-18)22-15-11-31-20(17(15)26)33(28,29)25(7-2)8-3;1-11(2)17(15-10-12(3)13(4)30-15)22-20-19(23-31(27)24-20)21-14-8-7-9-16(18(14)26)32(28,29)25(5)6;;;;;;/h9-13,17,27H,7-8H2,1-6H3,(H,22,24)(H,23,25);7-10,16,27H,1-6H3,(H,22,24)(H,23,25);2*9-11,16,26H,7-8H2,1-6H3,(H,21,23)(H,22,24);9-12,14,26H,6-8H2,1-5H3,(H,21,23)(H,22,24);7-11,17,26H,1-6H3,(H,21,23)(H,22,24);6*1H4/t17-,33?;3*16-,32?;14-,32?;17-,31?;;;;;;/m111011....../s1.
What are the key properties of 6-chloro-3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;N,N-diethyl-3-hydroxy-4-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide;N,N-diethyl-3-hydroxy-4-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide;4-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;4-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;methane?
6-chloro-3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;N,N-diethyl-3-hydroxy-4-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide;N,N-diethyl-3-hydroxy-4-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide;4-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;4-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;methane has a molecular weight of 3170.66 g/mol, XLogP of 24.53, 45 rotatable bonds, 18 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;N,N-diethyl-3-hydroxy-4-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide;N,N-diethyl-3-hydroxy-4-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide;4-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;4-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;methane is sourced from PubChem (CID 162230657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).