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

C24H27FN4O4S2 — CID 89493744

IUPAC2-cyclopentyl-N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2sc(NC(=O)CC3CCCC3)nc2C)cc1S(=O)(=O)Nc1cnc(F)cc1C
InChIInChI=1S/C24H27FN4O4S2/c1-14-10-21(25)26-13-18(14)29-35(31,32)20-12-17(8-9-19(20)33-3)23-15(2)27-24(34-23)28-22(30)11-16-6-4-5-7-16/h8-10,12-13,16,29H,4-7,11H2,1-3H3,(H,27,28,30)
InChIKeyFXHCCHZEMZICEO-UHFFFAOYSA-N
MW518.64 g/mol
LogP5.29
Rot. Bonds8

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

2-cyclopentyl-N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 89493744) has the molecular formula C24H27FN4O4S2 and a molecular weight of 518.64 g/mol. Its IUPAC name is 2-cyclopentyl-N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID89493744
Molecular FormulaC24H27FN4O4S2
Molecular Weight518.64 g/mol
Exact Mass518.15
IUPAC Name2-cyclopentyl-N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2sc(NC(=O)CC3CCCC3)nc2C)cc1S(=O)(=O)Nc1cnc(F)cc1C
InChIInChI=1S/C24H27FN4O4S2/c1-14-10-21(25)26-13-18(14)29-35(31,32)20-12-17(8-9-19(20)33-3)23-15(2)27-24(34-23)28-22(30)11-16-6-4-5-7-16/h8-10,12-13,16,29H,4-7,11H2,1-3H3,(H,27,28,30)
InChIKeyFXHCCHZEMZICEO-UHFFFAOYSA-N
XLogP5.29
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.64
LogP ≤ 55.29
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-cyclopentyl-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-cyclopentyl-N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 89493744) is 2-cyclopentyl-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-cyclopentyl-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-cyclopentyl-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)CC3CCCC3)nc2C)cc1S(=O)(=O)Nc1cnc(F)cc1C.
What is the InChIKey of 2-cyclopentyl-N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is FXHCCHZEMZICEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O4S2/c1-14-10-21(25)26-13-18(14)29-35(31,32)20-12-17(8-9-19(20)33-3)23-15(2)27-24(34-23)28-22(30)11-16-6-4-5-7-16/h8-10,12-13,16,29H,4-7,11H2,1-3H3,(H,27,28,30).
What are the key properties of 2-cyclopentyl-N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
2-cyclopentyl-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 518.64 g/mol, XLogP of 5.29, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-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 89493744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).