2-cyclohexyl-N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide

C25H29FN4O4S2 — CID 89493881

IUPAC2-cyclohexyl-N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2sc(NC(=O)CC3CCCCC3)nc2C)cc1S(=O)(=O)Nc1cnc(F)cc1C
InChIInChI=1S/C25H29FN4O4S2/c1-15-11-22(26)27-14-19(15)30-36(32,33)21-13-18(9-10-20(21)34-3)24-16(2)28-25(35-24)29-23(31)12-17-7-5-4-6-8-17/h9-11,13-14,17,30H,4-8,12H2,1-3H3,(H,28,29,31)
InChIKeyRYMNEWKMIMQNMI-UHFFFAOYSA-N
MW532.66 g/mol
LogP5.68
Rot. Bonds8

About 2-cyclohexyl-N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide

2-cyclohexyl-N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 89493881) has the molecular formula C25H29FN4O4S2 and a molecular weight of 532.66 g/mol. Its IUPAC name is 2-cyclohexyl-N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID89493881
Molecular FormulaC25H29FN4O4S2
Molecular Weight532.66 g/mol
Exact Mass532.16
IUPAC Name2-cyclohexyl-N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2sc(NC(=O)CC3CCCCC3)nc2C)cc1S(=O)(=O)Nc1cnc(F)cc1C
InChIInChI=1S/C25H29FN4O4S2/c1-15-11-22(26)27-14-19(15)30-36(32,33)21-13-18(9-10-20(21)34-3)24-16(2)28-25(35-24)29-23(31)12-17-7-5-4-6-8-17/h9-11,13-14,17,30H,4-8,12H2,1-3H3,(H,28,29,31)
InChIKeyRYMNEWKMIMQNMI-UHFFFAOYSA-N
XLogP5.68
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.66
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 89493881) is 2-cyclohexyl-N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide is COc1ccc(-c2sc(NC(=O)CC3CCCCC3)nc2C)cc1S(=O)(=O)Nc1cnc(F)cc1C.
What is the InChIKey of 2-cyclohexyl-N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is RYMNEWKMIMQNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O4S2/c1-15-11-22(26)27-14-19(15)30-36(32,33)21-13-18(9-10-20(21)34-3)24-16(2)28-25(35-24)29-23(31)12-17-7-5-4-6-8-17/h9-11,13-14,17,30H,4-8,12H2,1-3H3,(H,28,29,31).
What are the key properties of 2-cyclohexyl-N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
2-cyclohexyl-N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 532.66 g/mol, XLogP of 5.68, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 89493881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).