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

C44H55N9O5S4 — CID 160529493

IUPAC3,5-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
SMILESCC1=NCC(C)=C1S(=O)(=O)NC1CCC(CNc2nc(-c3ccccn3)cs2)CC1.COc1ccc(C)cc1S(=O)(=O)NC1CCC(CNc2nc(-c3ccncc3)cs2)CC1
InChIInChI=1S/C23H28N4O3S2.C21H27N5O2S2/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;1-14-11-23-15(2)20(14)30(27,28)26-17-8-6-16(7-9-17)12-24-21-25-19(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);3-5,10,13,16-17,26H,6-9,11-12H2,1-2H3,(H,24,25)
InChIKeyQVIRXEKPWXAQQX-UHFFFAOYSA-N
MW918.25 g/mol
LogP8.32
Rot. Bonds15

About 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

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 (PubChem CID 160529493) has the molecular formula C44H55N9O5S4 and a molecular weight of 918.25 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,5-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
PubChem CID160529493
Molecular FormulaC44H55N9O5S4
Molecular Weight918.25 g/mol
Exact Mass917.32
IUPAC Name3,5-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
SMILESCC1=NCC(C)=C1S(=O)(=O)NC1CCC(CNc2nc(-c3ccccn3)cs2)CC1.COc1ccc(C)cc1S(=O)(=O)NC1CCC(CNc2nc(-c3ccncc3)cs2)CC1
InChIInChI=1S/C23H28N4O3S2.C21H27N5O2S2/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;1-14-11-23-15(2)20(14)30(27,28)26-17-8-6-16(7-9-17)12-24-21-25-19(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);3-5,10,13,16-17,26H,6-9,11-12H2,1-2H3,(H,24,25)
InChIKeyQVIRXEKPWXAQQX-UHFFFAOYSA-N
XLogP8.32
TPSA189.55 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500918.25
LogP ≤ 58.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 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 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-[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
N-(4-fluoro-3-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide
CID 130383845
5-[2-[cyclohexyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]-N-(6-fluoro-4-methyl-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 134610316
N-(4-fluoro-3-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfinamide
CID 145359442
N-(3-fluoro-2-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfinamide
CID 145359475
5-[2-(cyclohexylmethylamino)-4-methyl-1,3-thiazol-5-yl]-N-(6-fluoro-4-methyl-3-pyridinyl)-2-methoxybenzenesulfinamide
CID 145359583

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1=NCC(C)=C1S(=O)(=O)NC1CCC(CNc2nc(-c3ccccn3)cs2)CC1.COc1ccc(C)cc1S(=O)(=O)NC1CCC(CNc2nc(-c3ccncc3)cs2)CC1.
What is the InChIKey of 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?
The InChIKey is QVIRXEKPWXAQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S2.C21H27N5O2S2/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;1-14-11-23-15(2)20(14)30(27,28)26-17-8-6-16(7-9-17)12-24-21-25-19(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);3-5,10,13,16-17,26H,6-9,11-12H2,1-2H3,(H,24,25).
What are the key properties of 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?
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 has a molecular weight of 918.25 g/mol, XLogP of 8.32, 15 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160529493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).