3-fluoro-4-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

C41H49FN8O5S4 — CID 91367650

IUPAC3-fluoro-4-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
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCCCCNc1nc(-c2ccncc2)cs1.Cc1ccc(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)cc1F
InChIInChI=1S/C21H26N4O3S2.C20H23FN4O2S2/c1-16-6-7-19(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/h6-9,12-15,24H,3-5,10-11H2,1-2H3,(H,23,25);3,6-10,13-14,24H,2,4-5,11-12H2,1H3,(H,23,25)
InChIKeyOIIABMIAIYHBAM-UHFFFAOYSA-N
MW881.16 g/mol
LogP8.30
Rot. Bonds21

About 3-fluoro-4-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

3-fluoro-4-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 (PubChem CID 91367650) has the molecular formula C41H49FN8O5S4 and a molecular weight of 881.16 g/mol. Its IUPAC name is 3-fluoro-4-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.

Molecular Properties

Compound Name3-fluoro-4-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
PubChem CID91367650
Molecular FormulaC41H49FN8O5S4
Molecular Weight881.16 g/mol
Exact Mass880.27
IUPAC Name3-fluoro-4-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
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCCCCNc1nc(-c2ccncc2)cs1.Cc1ccc(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)cc1F
InChIInChI=1S/C21H26N4O3S2.C20H23FN4O2S2/c1-16-6-7-19(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/h6-9,12-15,24H,3-5,10-11H2,1-2H3,(H,23,25);3,6-10,13-14,24H,2,4-5,11-12H2,1H3,(H,23,25)
InChIKeyOIIABMIAIYHBAM-UHFFFAOYSA-N
XLogP8.30
TPSA177.19 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds21
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500881.16
LogP ≤ 58.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 3-fluoro-4-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 with MolForge

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Related Compounds

2-methoxy-5-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide
CID 20647101
5-fluoro-2-methoxy-N-[3-[5-[2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 57989730
5-fluoro-N-[2-fluoro-3-[5-[2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]phenyl]-2-methoxybenzenesulfonamide
CID 57989905
5-fluoro-2-methoxy-N-[3-[5-[2-(2-methylsulfonylethylamino)pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 57989950
N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 71549372
N-(6-chloro-5-fluoro-3-pyridinyl)-5-[2-(cyclohexylmethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxybenzenesulfonamide
CID 89493775
2-cyclohexyl-N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 89493881
5-[2-(cycloheptylamino)-4-methyl-1,3-thiazol-5-yl]-N-(6-fluoro-4-methyl-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 89493892
5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-N-(6-fluoro-4-methyl-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 89493955
5-[2-(cyclohexylmethylamino)-4-methyl-1,3-thiazol-5-yl]-N-(6-fluoro-4-methyl-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 117894561
5-fluoro-2-methoxy-N-[3-[5-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-4-pyridinyl]-2-propan-2-yl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 124142965
N-(3-fluoro-2-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide
CID 130383835

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-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?
The IUPAC name of 3-fluoro-4-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 (CID 91367650) is 3-fluoro-4-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.
What is the SMILES notation for 3-fluoro-4-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?
The canonical SMILES for 3-fluoro-4-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 is COc1ccc(C)cc1S(=O)(=O)NCCCCCNc1nc(-c2ccncc2)cs1.Cc1ccc(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)cc1F.
What is the InChIKey of 3-fluoro-4-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?
The InChIKey is OIIABMIAIYHBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S2.C20H23FN4O2S2/c1-16-6-7-19(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/h6-9,12-15,24H,3-5,10-11H2,1-2H3,(H,23,25);3,6-10,13-14,24H,2,4-5,11-12H2,1H3,(H,23,25).
What are the key properties of 3-fluoro-4-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?
3-fluoro-4-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 has a molecular weight of 881.16 g/mol, XLogP of 8.30, 21 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-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 is sourced from PubChem (CID 91367650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).