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;2-methoxy-5-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide

C76H101N17O11S8 — CID 90935477

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;2-methoxy-5-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.Cc1coc(C)c1S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1.Cc1coc(C)c1S(=O)(=O)NCCCCCNc1nc(-c2cccnc2)cs1
InChIInChI=1S/C21H26N4O3S2.2C19H24N4O3S2.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;1-14-12-26-15(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);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)
InChIKeyKXQMIIZBKMCUED-UHFFFAOYSA-N
MW1685.29 g/mol
LogP15.00
Rot. Bonds43

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;2-methoxy-5-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;2-methoxy-5-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide (PubChem CID 90935477) has the molecular formula C76H101N17O11S8 and a molecular weight of 1685.29 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;2-methoxy-5-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;2-methoxy-5-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide
PubChem CID90935477
Molecular FormulaC76H101N17O11S8
Molecular Weight1685.29 g/mol
Exact Mass1683.56
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;2-methoxy-5-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.Cc1coc(C)c1S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1.Cc1coc(C)c1S(=O)(=O)NCCCCCNc1nc(-c2cccnc2)cs1
InChIInChI=1S/C21H26N4O3S2.2C19H24N4O3S2.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;1-14-12-26-15(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);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)
InChIKeyKXQMIIZBKMCUED-UHFFFAOYSA-N
XLogP15.00
TPSA374.67 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds43
Heavy Atoms112
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001685.29
LogP ≤ 515.00
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

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;2-methoxy-5-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide with MolForge

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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;2-methoxy-5-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;2-methoxy-5-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide (CID 90935477) 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;2-methoxy-5-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;2-methoxy-5-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;2-methoxy-5-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.Cc1coc(C)c1S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1.Cc1coc(C)c1S(=O)(=O)NCCCCCNc1nc(-c2cccnc2)cs1.
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;2-methoxy-5-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide?
The InChIKey is KXQMIIZBKMCUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S2.2C19H24N4O3S2.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;1-14-12-26-15(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);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;2-methoxy-5-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;2-methoxy-5-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide has a molecular weight of 1685.29 g/mol, XLogP of 15.00, 43 rotatable bonds, 8 hydrogen bond donors, and 27 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;2-methoxy-5-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide is sourced from PubChem (CID 90935477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).