5-[2-(cyclohexylmethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-4-ylbenzenesulfonamide

C23H34N4O3S2 — CID 89493779

IUPAC5-[2-(cyclohexylmethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-4-ylbenzenesulfonamide
SMILESCOc1ccc(-c2sc(NCC3CCCCC3)nc2C)cc1S(=O)(=O)NC1CCNCC1
InChIInChI=1S/C23H34N4O3S2/c1-16-22(31-23(26-16)25-15-17-6-4-3-5-7-17)18-8-9-20(30-2)21(14-18)32(28,29)27-19-10-12-24-13-11-19/h8-9,14,17,19,24,27H,3-7,10-13,15H2,1-2H3,(H,25,26)
InChIKeyUOQOSTRBNUWFMK-UHFFFAOYSA-N
MW478.68 g/mol
LogP4.15
Rot. Bonds8

About 5-[2-(cyclohexylmethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-4-ylbenzenesulfonamide

5-[2-(cyclohexylmethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-4-ylbenzenesulfonamide (PubChem CID 89493779) has the molecular formula C23H34N4O3S2 and a molecular weight of 478.68 g/mol. Its IUPAC name is 5-[2-(cyclohexylmethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-[2-(cyclohexylmethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-4-ylbenzenesulfonamide
PubChem CID89493779
Molecular FormulaC23H34N4O3S2
Molecular Weight478.68 g/mol
Exact Mass478.21
IUPAC Name5-[2-(cyclohexylmethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-4-ylbenzenesulfonamide
SMILESCOc1ccc(-c2sc(NCC3CCCCC3)nc2C)cc1S(=O)(=O)NC1CCNCC1
InChIInChI=1S/C23H34N4O3S2/c1-16-22(31-23(26-16)25-15-17-6-4-3-5-7-17)18-8-9-20(30-2)21(14-18)32(28,29)27-19-10-12-24-13-11-19/h8-9,14,17,19,24,27H,3-7,10-13,15H2,1-2H3,(H,25,26)
InChIKeyUOQOSTRBNUWFMK-UHFFFAOYSA-N
XLogP4.15
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.68
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclohexylmethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-4-ylbenzenesulfonamide?
The IUPAC name of 5-[2-(cyclohexylmethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-4-ylbenzenesulfonamide (CID 89493779) is 5-[2-(cyclohexylmethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 5-[2-(cyclohexylmethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-4-ylbenzenesulfonamide?
The canonical SMILES for 5-[2-(cyclohexylmethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-4-ylbenzenesulfonamide is COc1ccc(-c2sc(NCC3CCCCC3)nc2C)cc1S(=O)(=O)NC1CCNCC1.
What is the InChIKey of 5-[2-(cyclohexylmethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-4-ylbenzenesulfonamide?
The InChIKey is UOQOSTRBNUWFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3S2/c1-16-22(31-23(26-16)25-15-17-6-4-3-5-7-17)18-8-9-20(30-2)21(14-18)32(28,29)27-19-10-12-24-13-11-19/h8-9,14,17,19,24,27H,3-7,10-13,15H2,1-2H3,(H,25,26).
What are the key properties of 5-[2-(cyclohexylmethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-4-ylbenzenesulfonamide?
5-[2-(cyclohexylmethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-4-ylbenzenesulfonamide has a molecular weight of 478.68 g/mol, XLogP of 4.15, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclohexylmethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 89493779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).