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

C23H25FN4O4S2 — CID 71549372

IUPACN-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide
SMILESCOc1ccc(-c2sc(NC(=O)C3CCCC3)nc2C)cc1S(=O)(=O)Nc1cnc(F)cc1C
InChIInChI=1S/C23H25FN4O4S2/c1-13-10-20(24)25-12-17(13)28-34(30,31)19-11-16(8-9-18(19)32-3)21-14(2)26-23(33-21)27-22(29)15-6-4-5-7-15/h8-12,15,28H,4-7H2,1-3H3,(H,26,27,29)
InChIKeyCHVMYBWXRNBNAP-UHFFFAOYSA-N
MW504.61 g/mol
LogP4.90
Rot. Bonds7

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

N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide (PubChem CID 71549372) has the molecular formula C23H25FN4O4S2 and a molecular weight of 504.61 g/mol. Its IUPAC name is N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide
PubChem CID71549372
Molecular FormulaC23H25FN4O4S2
Molecular Weight504.61 g/mol
Exact Mass504.13
IUPAC NameN-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide
SMILESCOc1ccc(-c2sc(NC(=O)C3CCCC3)nc2C)cc1S(=O)(=O)Nc1cnc(F)cc1C
InChIInChI=1S/C23H25FN4O4S2/c1-13-10-20(24)25-12-17(13)28-34(30,31)19-11-16(8-9-18(19)32-3)21-14(2)26-23(33-21)27-22(29)15-6-4-5-7-15/h8-12,15,28H,4-7H2,1-3H3,(H,26,27,29)
InChIKeyCHVMYBWXRNBNAP-UHFFFAOYSA-N
XLogP4.90
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.61
LogP ≤ 54.90
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 N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide (CID 71549372) is N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide is COc1ccc(-c2sc(NC(=O)C3CCCC3)nc2C)cc1S(=O)(=O)Nc1cnc(F)cc1C.
What is the InChIKey of N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide?
The InChIKey is CHVMYBWXRNBNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O4S2/c1-13-10-20(24)25-12-17(13)28-34(30,31)19-11-16(8-9-18(19)32-3)21-14(2)26-23(33-21)27-22(29)15-6-4-5-7-15/h8-12,15,28H,4-7H2,1-3H3,(H,26,27,29).
What are the key properties of N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide?
N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide has a molecular weight of 504.61 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 71549372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).