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

C44H54N8O6S4 — CID 90721661

IUPAC2,4-dimethyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]furan-3-sulfonamide;2-methoxy-5-methyl-N-[4-[[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NC1CCC(CNc2nc(-c3ccncc3)cs2)CC1.Cc1coc(C)c1S(=O)(=O)NC1CCC(CNc2nc(-c3ccccn3)cs2)CC1
InChIInChI=1S/C23H28N4O3S2.C21H26N4O3S2/c1-16-3-8-21(30-2)22(13-16)32(28,29)27-19-6-4-17(5-7-19)14-25-23-26-20(15-31-23)18-9-11-24-12-10-18;1-14-12-28-15(2)20(14)30(26,27)25-17-8-6-16(7-9-17)11-23-21-24-19(13-29-21)18-5-3-4-10-22-18/h3,8-13,15,17,19,27H,4-7,14H2,1-2H3,(H,25,26);3-5,10,12-13,16-17,25H,6-9,11H2,1-2H3,(H,23,24)
InChIKeyKRICAADFGWYFKN-UHFFFAOYSA-N
MW919.23 g/mol
LogP8.84
Rot. Bonds15

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

2,4-dimethyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]furan-3-sulfonamide;2-methoxy-5-methyl-N-[4-[[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]benzenesulfonamide (PubChem CID 90721661) has the molecular formula C44H54N8O6S4 and a molecular weight of 919.23 g/mol. Its IUPAC name is 2,4-dimethyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]furan-3-sulfonamide;2-methoxy-5-methyl-N-[4-[[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]furan-3-sulfonamide;2-methoxy-5-methyl-N-[4-[[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]benzenesulfonamide
PubChem CID90721661
Molecular FormulaC44H54N8O6S4
Molecular Weight919.23 g/mol
Exact Mass918.30
IUPAC Name2,4-dimethyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]furan-3-sulfonamide;2-methoxy-5-methyl-N-[4-[[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NC1CCC(CNc2nc(-c3ccncc3)cs2)CC1.Cc1coc(C)c1S(=O)(=O)NC1CCC(CNc2nc(-c3ccccn3)cs2)CC1
InChIInChI=1S/C23H28N4O3S2.C21H26N4O3S2/c1-16-3-8-21(30-2)22(13-16)32(28,29)27-19-6-4-17(5-7-19)14-25-23-26-20(15-31-23)18-9-11-24-12-10-18;1-14-12-28-15(2)20(14)30(26,27)25-17-8-6-16(7-9-17)11-23-21-24-19(13-29-21)18-5-3-4-10-22-18/h3,8-13,15,17,19,27H,4-7,14H2,1-2H3,(H,25,26);3-5,10,12-13,16-17,25H,6-9,11H2,1-2H3,(H,23,24)
InChIKeyKRICAADFGWYFKN-UHFFFAOYSA-N
XLogP8.84
TPSA190.33 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500919.23
LogP ≤ 58.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

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

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Related Compounds

2,4-dimethyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]furan-3-sulfonamide
CID 20647091
2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide
CID 20647092
2,4-dimethyl-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide
CID 20647093
2-methoxy-5-methyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]benzenesulfonamide
CID 20647099
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
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
5-[2-amino-3-[5-[[5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxyphenyl]sulfonylamino]-2-methoxy-4-pyridinyl]-4-methyl-1,3-thiazol-3-ium-5-yl]-2-methoxy-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 123500915
3,5-dimethyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]-1,2-oxazole-4-sulfonamide;2-methoxy-5-methyl-N-[4-[[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]benzenesulfonamide
CID 158783660
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
3,5-dimethyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]-2H-pyrrole-4-sulfonamide;2-methoxy-5-methyl-N-[4-[[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]benzenesulfonamide
CID 160529493
3,5-dimethyl-N-[4-[[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]-1,2-oxazole-4-sulfonamide;methane;2-methoxy-5-methyl-N-[4-[[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]benzenesulfonamide
CID 161122604
3,4-difluoro-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 161305931

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]furan-3-sulfonamide;2-methoxy-5-methyl-N-[4-[[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]furan-3-sulfonamide;2-methoxy-5-methyl-N-[4-[[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]benzenesulfonamide (CID 90721661) is 2,4-dimethyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]furan-3-sulfonamide;2-methoxy-5-methyl-N-[4-[[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]furan-3-sulfonamide;2-methoxy-5-methyl-N-[4-[[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]furan-3-sulfonamide;2-methoxy-5-methyl-N-[4-[[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NC1CCC(CNc2nc(-c3ccncc3)cs2)CC1.Cc1coc(C)c1S(=O)(=O)NC1CCC(CNc2nc(-c3ccccn3)cs2)CC1.
What is the InChIKey of 2,4-dimethyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]furan-3-sulfonamide;2-methoxy-5-methyl-N-[4-[[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]benzenesulfonamide?
The InChIKey is KRICAADFGWYFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S2.C21H26N4O3S2/c1-16-3-8-21(30-2)22(13-16)32(28,29)27-19-6-4-17(5-7-19)14-25-23-26-20(15-31-23)18-9-11-24-12-10-18;1-14-12-28-15(2)20(14)30(26,27)25-17-8-6-16(7-9-17)11-23-21-24-19(13-29-21)18-5-3-4-10-22-18/h3,8-13,15,17,19,27H,4-7,14H2,1-2H3,(H,25,26);3-5,10,12-13,16-17,25H,6-9,11H2,1-2H3,(H,23,24).
What are the key properties of 2,4-dimethyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]furan-3-sulfonamide;2-methoxy-5-methyl-N-[4-[[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]benzenesulfonamide?
2,4-dimethyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]furan-3-sulfonamide;2-methoxy-5-methyl-N-[4-[[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]benzenesulfonamide has a molecular weight of 919.23 g/mol, XLogP of 8.84, 15 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]furan-3-sulfonamide;2-methoxy-5-methyl-N-[4-[[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 90721661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).