N-[5-[4-methoxy-3-[[6-(trifluoromethyl)-3-pyridinyl]sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide

C23H23F3N4O4S2 — CID 89493748

IUPACN-[5-[4-methoxy-3-[[6-(trifluoromethyl)-3-pyridinyl]sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide
SMILESCOc1ccc(-c2sc(NC(=O)C3CCCC3)nc2C)cc1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C23H23F3N4O4S2/c1-13-20(35-22(28-13)29-21(31)14-5-3-4-6-14)15-7-9-17(34-2)18(11-15)36(32,33)30-16-8-10-19(27-12-16)23(24,25)26/h7-12,14,30H,3-6H2,1-2H3,(H,28,29,31)
InChIKeyRSQJYXUYCALWHP-UHFFFAOYSA-N
MW540.59 g/mol
LogP5.47
Rot. Bonds7

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

N-[5-[4-methoxy-3-[[6-(trifluoromethyl)-3-pyridinyl]sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide (PubChem CID 89493748) has the molecular formula C23H23F3N4O4S2 and a molecular weight of 540.59 g/mol. Its IUPAC name is N-[5-[4-methoxy-3-[[6-(trifluoromethyl)-3-pyridinyl]sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-methoxy-3-[[6-(trifluoromethyl)-3-pyridinyl]sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide
PubChem CID89493748
Molecular FormulaC23H23F3N4O4S2
Molecular Weight540.59 g/mol
Exact Mass540.11
IUPAC NameN-[5-[4-methoxy-3-[[6-(trifluoromethyl)-3-pyridinyl]sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide
SMILESCOc1ccc(-c2sc(NC(=O)C3CCCC3)nc2C)cc1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C23H23F3N4O4S2/c1-13-20(35-22(28-13)29-21(31)14-5-3-4-6-14)15-7-9-17(34-2)18(11-15)36(32,33)30-16-8-10-19(27-12-16)23(24,25)26/h7-12,14,30H,3-6H2,1-2H3,(H,28,29,31)
InChIKeyRSQJYXUYCALWHP-UHFFFAOYSA-N
XLogP5.47
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.59
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-methoxy-3-[[6-(trifluoromethyl)-3-pyridinyl]sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[5-[4-methoxy-3-[[6-(trifluoromethyl)-3-pyridinyl]sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide (CID 89493748) is N-[5-[4-methoxy-3-[[6-(trifluoromethyl)-3-pyridinyl]sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[5-[4-methoxy-3-[[6-(trifluoromethyl)-3-pyridinyl]sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[5-[4-methoxy-3-[[6-(trifluoromethyl)-3-pyridinyl]sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide is COc1ccc(-c2sc(NC(=O)C3CCCC3)nc2C)cc1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[5-[4-methoxy-3-[[6-(trifluoromethyl)-3-pyridinyl]sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide?
The InChIKey is RSQJYXUYCALWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O4S2/c1-13-20(35-22(28-13)29-21(31)14-5-3-4-6-14)15-7-9-17(34-2)18(11-15)36(32,33)30-16-8-10-19(27-12-16)23(24,25)26/h7-12,14,30H,3-6H2,1-2H3,(H,28,29,31).
What are the key properties of N-[5-[4-methoxy-3-[[6-(trifluoromethyl)-3-pyridinyl]sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide?
N-[5-[4-methoxy-3-[[6-(trifluoromethyl)-3-pyridinyl]sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide has a molecular weight of 540.59 g/mol, XLogP of 5.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-methoxy-3-[[6-(trifluoromethyl)-3-pyridinyl]sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 89493748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).