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

C23H28N4O3S2 — CID 20647099

IUPAC2-methoxy-5-methyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NC1CCC(CNc2nc(-c3ccccn3)cs2)CC1
InChIInChI=1S/C23H28N4O3S2/c1-16-6-11-21(30-2)22(13-16)32(28,29)27-18-9-7-17(8-10-18)14-25-23-26-20(15-31-23)19-5-3-4-12-24-19/h3-6,11-13,15,17-18,27H,7-10,14H2,1-2H3,(H,25,26)
InChIKeyREXDZNWETBQWIA-UHFFFAOYSA-N
MW472.64 g/mol
LogP4.47
Rot. Bonds8

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

2-methoxy-5-methyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]benzenesulfonamide (PubChem CID 20647099) has the molecular formula C23H28N4O3S2 and a molecular weight of 472.64 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]benzenesulfonamide
PubChem CID20647099
Molecular FormulaC23H28N4O3S2
Molecular Weight472.64 g/mol
Exact Mass472.16
IUPAC Name2-methoxy-5-methyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NC1CCC(CNc2nc(-c3ccccn3)cs2)CC1
InChIInChI=1S/C23H28N4O3S2/c1-16-6-11-21(30-2)22(13-16)32(28,29)27-18-9-7-17(8-10-18)14-25-23-26-20(15-31-23)19-5-3-4-12-24-19/h3-6,11-13,15,17-18,27H,7-10,14H2,1-2H3,(H,25,26)
InChIKeyREXDZNWETBQWIA-UHFFFAOYSA-N
XLogP4.47
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.64
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]benzenesulfonamide (CID 20647099) is 2-methoxy-5-methyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NC1CCC(CNc2nc(-c3ccccn3)cs2)CC1.
What is the InChIKey of 2-methoxy-5-methyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]benzenesulfonamide?
The InChIKey is REXDZNWETBQWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S2/c1-16-6-11-21(30-2)22(13-16)32(28,29)27-18-9-7-17(8-10-18)14-25-23-26-20(15-31-23)19-5-3-4-12-24-19/h3-6,11-13,15,17-18,27H,7-10,14H2,1-2H3,(H,25,26).
What are the key properties of 2-methoxy-5-methyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]benzenesulfonamide?
2-methoxy-5-methyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]benzenesulfonamide has a molecular weight of 472.64 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[4-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 20647099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).