2-[5-(diethylsulfamoylamino)pentylamino]-4-pyridin-2-yl-1,3-thiazole;2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide;2,4-dimethyl-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide;3-fluoro-4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-fluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-fluoro-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-methoxy-5-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-methoxy-5-methyl-N-[5-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide

C175H216F3N37O22S18 — CID 159104977

IUPAC2-[5-(diethylsulfamoylamino)pentylamino]-4-pyridin-2-yl-1,3-thiazole;2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide;2,4-dimethyl-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide;3-fluoro-4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-fluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-fluoro-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-methoxy-5-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-methoxy-5-methyl-N-[5-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1.COc1ccc(C)cc1S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1.COc1ccc(C)cc1S(=O)(=O)NCCCCCNc1nc(-c2ccncc2)cs1.Cc1ccc(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)cc1.Cc1ccc(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)cc1F.Cc1coc(C)c1S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1.Cc1coc(C)c1S(=O)(=O)NCCCCCNc1nc(-c2cccnc2)cs1.O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)c1ccccc1F.O=S(=O)(NCCCCCNc1nc(-c2cccnc2)cs1)c1ccccc1F
InChIInChI=1S/2C21H26N4O3S2.C20H23FN4O2S2.C20H24N4O2S2.2C19H21FN4O2S2.2C19H24N4O3S2.C17H27N5O2S2/c1-16-9-10-19(28-2)20(14-16)30(26,27)24-13-6-3-5-12-23-21-25-18(15-29-21)17-8-4-7-11-22-17;1-16-6-7-19(28-2)20(14-16)30(26,27)24-11-5-3-4-10-23-21-25-18(15-29-21)17-8-12-22-13-9-17;1-15-8-9-16(13-17(15)21)29(26,27)24-12-5-2-4-11-23-20-25-19(14-28-20)18-7-3-6-10-22-18;1-16-8-10-17(11-9-16)28(25,26)23-14-5-2-4-13-22-20-24-19(15-27-20)18-7-3-6-12-21-18;20-15-8-2-3-10-18(15)28(25,26)23-13-6-1-5-12-22-19-24-17(14-27-19)16-9-4-7-11-21-16;20-16-8-2-3-9-18(16)28(25,26)23-12-5-1-4-11-22-19-24-17(14-27-19)15-7-6-10-21-13-15;1-14-12-26-15(2)18(14)28(24,25)22-11-6-3-5-10-21-19-23-17(13-27-19)16-8-4-7-9-20-16;1-14-12-26-15(2)18(14)28(24,25)22-10-5-3-4-9-21-19-23-17(13-27-19)16-7-6-8-20-11-16;1-3-22(4-2)26(23,24)20-13-8-5-7-12-19-17-21-16(14-25-17)15-10-6-9-11-18-15/h4,7-11,14-15,24H,3,5-6,12-13H2,1-2H3,(H,23,25);6-9,12-15,24H,3-5,10-11H2,1-2H3,(H,23,25);3,6-10,13-14,24H,2,4-5,11-12H2,1H3,(H,23,25);3,6-12,15,23H,2,4-5,13-14H2,1H3,(H,22,24);2-4,7-11,14,23H,1,5-6,12-13H2,(H,22,24);2-3,6-10,13-14,23H,1,4-5,11-12H2,(H,22,24);4,7-9,12-13,22H,3,5-6,10-11H2,1-2H3,(H,21,23);6-8,11-13,22H,3-5,9-10H2,1-2H3,(H,21,23);6,9-11,14,20H,3-5,7-8,12-13H2,1-2H3,(H,19,21)
InChIKeyKDTNGACBEYJAPV-UHFFFAOYSA-N
MW3824.09 g/mol
LogP35.18
Rot. Bonds94

About 2-[5-(diethylsulfamoylamino)pentylamino]-4-pyridin-2-yl-1,3-thiazole;2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide;2,4-dimethyl-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide;3-fluoro-4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-fluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-fluoro-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-methoxy-5-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-methoxy-5-methyl-N-[5-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide

2-[5-(diethylsulfamoylamino)pentylamino]-4-pyridin-2-yl-1,3-thiazole;2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide;2,4-dimethyl-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide;3-fluoro-4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-fluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-fluoro-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-methoxy-5-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-methoxy-5-methyl-N-[5-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide (PubChem CID 159104977) has the molecular formula C175H216F3N37O22S18 and a molecular weight of 3824.09 g/mol. Its IUPAC name is 2-[5-(diethylsulfamoylamino)pentylamino]-4-pyridin-2-yl-1,3-thiazole;2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide;2,4-dimethyl-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide;3-fluoro-4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-fluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-fluoro-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-methoxy-5-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-methoxy-5-methyl-N-[5-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[5-(diethylsulfamoylamino)pentylamino]-4-pyridin-2-yl-1,3-thiazole;2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide;2,4-dimethyl-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide;3-fluoro-4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-fluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-fluoro-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-methoxy-5-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-methoxy-5-methyl-N-[5-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide
PubChem CID159104977
Molecular FormulaC175H216F3N37O22S18
Molecular Weight3824.09 g/mol
Exact Mass3820.18
IUPAC Name2-[5-(diethylsulfamoylamino)pentylamino]-4-pyridin-2-yl-1,3-thiazole;2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide;2,4-dimethyl-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide;3-fluoro-4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-fluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-fluoro-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-methoxy-5-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-methoxy-5-methyl-N-[5-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1.COc1ccc(C)cc1S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1.COc1ccc(C)cc1S(=O)(=O)NCCCCCNc1nc(-c2ccncc2)cs1.Cc1ccc(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)cc1.Cc1ccc(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)cc1F.Cc1coc(C)c1S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1.Cc1coc(C)c1S(=O)(=O)NCCCCCNc1nc(-c2cccnc2)cs1.O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)c1ccccc1F.O=S(=O)(NCCCCCNc1nc(-c2cccnc2)cs1)c1ccccc1F
InChIInChI=1S/2C21H26N4O3S2.C20H23FN4O2S2.C20H24N4O2S2.2C19H21FN4O2S2.2C19H24N4O3S2.C17H27N5O2S2/c1-16-9-10-19(28-2)20(14-16)30(26,27)24-13-6-3-5-12-23-21-25-18(15-29-21)17-8-4-7-11-22-17;1-16-6-7-19(28-2)20(14-16)30(26,27)24-11-5-3-4-10-23-21-25-18(15-29-21)17-8-12-22-13-9-17;1-15-8-9-16(13-17(15)21)29(26,27)24-12-5-2-4-11-23-20-25-19(14-28-20)18-7-3-6-10-22-18;1-16-8-10-17(11-9-16)28(25,26)23-14-5-2-4-13-22-20-24-19(15-27-20)18-7-3-6-12-21-18;20-15-8-2-3-10-18(15)28(25,26)23-13-6-1-5-12-22-19-24-17(14-27-19)16-9-4-7-11-21-16;20-16-8-2-3-9-18(16)28(25,26)23-12-5-1-4-11-22-19-24-17(14-27-19)15-7-6-10-21-13-15;1-14-12-26-15(2)18(14)28(24,25)22-11-6-3-5-10-21-19-23-17(13-27-19)16-8-4-7-9-20-16;1-14-12-26-15(2)18(14)28(24,25)22-10-5-3-4-9-21-19-23-17(13-27-19)16-7-6-8-20-11-16;1-3-22(4-2)26(23,24)20-13-8-5-7-12-19-17-21-16(14-25-17)15-10-6-9-11-18-15/h4,7-11,14-15,24H,3,5-6,12-13H2,1-2H3,(H,23,25);6-9,12-15,24H,3-5,10-11H2,1-2H3,(H,23,25);3,6-10,13-14,24H,2,4-5,11-12H2,1H3,(H,23,25);3,6-12,15,23H,2,4-5,13-14H2,1H3,(H,22,24);2-4,7-11,14,23H,1,5-6,12-13H2,(H,22,24);2-3,6-10,13-14,23H,1,4-5,11-12H2,(H,22,24);4,7-9,12-13,22H,3,5-6,10-11H2,1-2H3,(H,21,23);6-8,11-13,22H,3-5,9-10H2,1-2H3,(H,21,23);6,9-11,14,20H,3-5,7-8,12-13H2,1-2H3,(H,19,21)
InChIKeyKDTNGACBEYJAPV-UHFFFAOYSA-N
XLogP35.18
TPSA803.80 Ų
H-Bond Donors18
H-Bond Acceptors58
Rotatable Bonds94
Heavy Atoms255
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003824.09
LogP ≤ 535.18
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1058

Computed Properties (RDKit)

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

Analyze 2-[5-(diethylsulfamoylamino)pentylamino]-4-pyridin-2-yl-1,3-thiazole;2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide;2,4-dimethyl-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide;3-fluoro-4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-fluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-fluoro-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-methoxy-5-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-methoxy-5-methyl-N-[5-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[5-(diethylsulfamoylamino)pentylamino]-4-pyridin-2-yl-1,3-thiazole;2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide;2,4-dimethyl-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide;3-fluoro-4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-fluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-fluoro-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-methoxy-5-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-methoxy-5-methyl-N-[5-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide?
The IUPAC name of 2-[5-(diethylsulfamoylamino)pentylamino]-4-pyridin-2-yl-1,3-thiazole;2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide;2,4-dimethyl-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide;3-fluoro-4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-fluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-fluoro-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-methoxy-5-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-methoxy-5-methyl-N-[5-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide (CID 159104977) is 2-[5-(diethylsulfamoylamino)pentylamino]-4-pyridin-2-yl-1,3-thiazole;2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide;2,4-dimethyl-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide;3-fluoro-4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-fluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-fluoro-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-methoxy-5-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-methoxy-5-methyl-N-[5-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide.
What is the SMILES notation for 2-[5-(diethylsulfamoylamino)pentylamino]-4-pyridin-2-yl-1,3-thiazole;2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide;2,4-dimethyl-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide;3-fluoro-4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-fluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-fluoro-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-methoxy-5-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-methoxy-5-methyl-N-[5-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide?
The canonical SMILES for 2-[5-(diethylsulfamoylamino)pentylamino]-4-pyridin-2-yl-1,3-thiazole;2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide;2,4-dimethyl-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide;3-fluoro-4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-fluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-fluoro-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-methoxy-5-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-methoxy-5-methyl-N-[5-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide is CCN(CC)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1.COc1ccc(C)cc1S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1.COc1ccc(C)cc1S(=O)(=O)NCCCCCNc1nc(-c2ccncc2)cs1.Cc1ccc(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)cc1.Cc1ccc(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)cc1F.Cc1coc(C)c1S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1.Cc1coc(C)c1S(=O)(=O)NCCCCCNc1nc(-c2cccnc2)cs1.O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)c1ccccc1F.O=S(=O)(NCCCCCNc1nc(-c2cccnc2)cs1)c1ccccc1F.
What is the InChIKey of 2-[5-(diethylsulfamoylamino)pentylamino]-4-pyridin-2-yl-1,3-thiazole;2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide;2,4-dimethyl-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide;3-fluoro-4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-fluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-fluoro-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-methoxy-5-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-methoxy-5-methyl-N-[5-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide?
The InChIKey is KDTNGACBEYJAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H26N4O3S2.C20H23FN4O2S2.C20H24N4O2S2.2C19H21FN4O2S2.2C19H24N4O3S2.C17H27N5O2S2/c1-16-9-10-19(28-2)20(14-16)30(26,27)24-13-6-3-5-12-23-21-25-18(15-29-21)17-8-4-7-11-22-17;1-16-6-7-19(28-2)20(14-16)30(26,27)24-11-5-3-4-10-23-21-25-18(15-29-21)17-8-12-22-13-9-17;1-15-8-9-16(13-17(15)21)29(26,27)24-12-5-2-4-11-23-20-25-19(14-28-20)18-7-3-6-10-22-18;1-16-8-10-17(11-9-16)28(25,26)23-14-5-2-4-13-22-20-24-19(15-27-20)18-7-3-6-12-21-18;20-15-8-2-3-10-18(15)28(25,26)23-13-6-1-5-12-22-19-24-17(14-27-19)16-9-4-7-11-21-16;20-16-8-2-3-9-18(16)28(25,26)23-12-5-1-4-11-22-19-24-17(14-27-19)15-7-6-10-21-13-15;1-14-12-26-15(2)18(14)28(24,25)22-11-6-3-5-10-21-19-23-17(13-27-19)16-8-4-7-9-20-16;1-14-12-26-15(2)18(14)28(24,25)22-10-5-3-4-9-21-19-23-17(13-27-19)16-7-6-8-20-11-16;1-3-22(4-2)26(23,24)20-13-8-5-7-12-19-17-21-16(14-25-17)15-10-6-9-11-18-15/h4,7-11,14-15,24H,3,5-6,12-13H2,1-2H3,(H,23,25);6-9,12-15,24H,3-5,10-11H2,1-2H3,(H,23,25);3,6-10,13-14,24H,2,4-5,11-12H2,1H3,(H,23,25);3,6-12,15,23H,2,4-5,13-14H2,1H3,(H,22,24);2-4,7-11,14,23H,1,5-6,12-13H2,(H,22,24);2-3,6-10,13-14,23H,1,4-5,11-12H2,(H,22,24);4,7-9,12-13,22H,3,5-6,10-11H2,1-2H3,(H,21,23);6-8,11-13,22H,3-5,9-10H2,1-2H3,(H,21,23);6,9-11,14,20H,3-5,7-8,12-13H2,1-2H3,(H,19,21).
What are the key properties of 2-[5-(diethylsulfamoylamino)pentylamino]-4-pyridin-2-yl-1,3-thiazole;2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide;2,4-dimethyl-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide;3-fluoro-4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-fluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-fluoro-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-methoxy-5-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-methoxy-5-methyl-N-[5-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide?
2-[5-(diethylsulfamoylamino)pentylamino]-4-pyridin-2-yl-1,3-thiazole;2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide;2,4-dimethyl-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide;3-fluoro-4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-fluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-fluoro-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-methoxy-5-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-methoxy-5-methyl-N-[5-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide has a molecular weight of 3824.09 g/mol, XLogP of 35.18, 94 rotatable bonds, 18 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(diethylsulfamoylamino)pentylamino]-4-pyridin-2-yl-1,3-thiazole;2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide;2,4-dimethyl-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide;3-fluoro-4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-fluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-fluoro-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-methoxy-5-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;2-methoxy-5-methyl-N-[5-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide is sourced from PubChem (CID 159104977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).