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

C45H61N9O6S4 — CID 161122604

IUPAC3,5-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
SMILESC.C.COc1ccc(C)cc1S(=O)(=O)NC1CCC(CNc2nc(-c3ccncc3)cs2)CC1.Cc1noc(C)c1S(=O)(=O)NC1CCC(CNc2nc(-c3ccncc3)cs2)CC1
InChIInChI=1S/C23H28N4O3S2.C20H25N5O3S2.2CH4/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;1-13-19(14(2)28-24-13)30(26,27)25-17-5-3-15(4-6-17)11-22-20-23-18(12-29-20)16-7-9-21-10-8-16;;/h3,8-13,15,17,19,27H,4-7,14H2,1-2H3,(H,25,26);7-10,12,15,17,25H,3-6,11H2,1-2H3,(H,22,23);2*1H4
InChIKeyULDKPKXLKBUPDT-UHFFFAOYSA-N
MW952.31 g/mol
LogP9.50
Rot. Bonds15

About 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

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 (PubChem CID 161122604) has the molecular formula C45H61N9O6S4 and a molecular weight of 952.31 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,5-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
PubChem CID161122604
Molecular FormulaC45H61N9O6S4
Molecular Weight952.31 g/mol
Exact Mass951.36
IUPAC Name3,5-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
SMILESC.C.COc1ccc(C)cc1S(=O)(=O)NC1CCC(CNc2nc(-c3ccncc3)cs2)CC1.Cc1noc(C)c1S(=O)(=O)NC1CCC(CNc2nc(-c3ccncc3)cs2)CC1
InChIInChI=1S/C23H28N4O3S2.C20H25N5O3S2.2CH4/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;1-13-19(14(2)28-24-13)30(26,27)25-17-5-3-15(4-6-17)11-22-20-23-18(12-29-20)16-7-9-21-10-8-16;;/h3,8-13,15,17,19,27H,4-7,14H2,1-2H3,(H,25,26);7-10,12,15,17,25H,3-6,11H2,1-2H3,(H,22,23);2*1H4
InChIKeyULDKPKXLKBUPDT-UHFFFAOYSA-N
XLogP9.50
TPSA203.22 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500952.31
LogP ≤ 59.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Related Compounds

1-({5-[(1Z)-2-(4-Methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-YL}sulfonyl)-N-(1,3-thiazol-2-YL)piperidine-4-carboxamide
CID 20858453
N-[5-[[4-[1-(benzenesulfonyl)pyrrol-3-yl]-1,3-thiazol-2-yl]amino]pentyl]-2-methoxy-5-methylbenzenesulfonamide;N-[[4-[[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]cyclohexyl]methyl]quinoline-8-sulfonamide
CID 87585160
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
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
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
3,4-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
3,4-difluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;methane;2-methoxy-5-methyl-N-[5-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide
CID 161307146
2-[5-(diethylsulfamoylamino)pentylamino]-4-pyridin-2-yl-1,3-thiazole;3,4-difluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;3,5-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]-1,2-oxazole-4-sulfonamide;3,5-dimethyl-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]-1,2-oxazole-4-sulfonamide;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 161905263
3,5-dimethyl-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]-1,2-oxazole-4-sulfonamide;4-methoxy-N-[1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]benzenesulfonamide;dihydrochloride
CID 173212102

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.COc1ccc(C)cc1S(=O)(=O)NC1CCC(CNc2nc(-c3ccncc3)cs2)CC1.Cc1noc(C)c1S(=O)(=O)NC1CCC(CNc2nc(-c3ccncc3)cs2)CC1.
What is the InChIKey of 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?
The InChIKey is ULDKPKXLKBUPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S2.C20H25N5O3S2.2CH4/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;1-13-19(14(2)28-24-13)30(26,27)25-17-5-3-15(4-6-17)11-22-20-23-18(12-29-20)16-7-9-21-10-8-16;;/h3,8-13,15,17,19,27H,4-7,14H2,1-2H3,(H,25,26);7-10,12,15,17,25H,3-6,11H2,1-2H3,(H,22,23);2*1H4.
What are the key properties of 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?
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 has a molecular weight of 952.31 g/mol, XLogP of 9.50, 15 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161122604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).