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N-(4-phenyl-1,3-thiazol-2-yl)-3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide

C23H23F3N4O3S2 — CID 155541688

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(4-phenyl-1,3-thiazol-2-yl)-3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C23H23F3N4O3S2/c24-23(25,26)18-6-8-19(9-7-18)35(32,33)30-14-12-29(13-15-30)11-10-21(31)28-22-27-20(16-34-22)17-4-2-1-3-5-17/h1-9,16H,10-15H2,(H,27,28,31)
InChIKeyAXENTBNUOWRDSB-UHFFFAOYSA-N
MW524.59 g/mol
LogP4.16
Rot. Bonds7

About N-(4-phenyl-1,3-thiazol-2-yl)-3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide

N-(4-phenyl-1,3-thiazol-2-yl)-3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide (PubChem CID 155541688) has the molecular formula C23H23F3N4O3S2 and a molecular weight of 524.59 g/mol. Its IUPAC name is N-(4-phenyl-1,3-thiazol-2-yl)-3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-phenyl-1,3-thiazol-2-yl)-3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
PubChem CID155541688
Molecular FormulaC23H23F3N4O3S2
Molecular Weight524.59 g/mol
Exact Mass524.12
IUPAC NameN-(4-phenyl-1,3-thiazol-2-yl)-3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C23H23F3N4O3S2/c24-23(25,26)18-6-8-19(9-7-18)35(32,33)30-14-12-29(13-15-30)11-10-21(31)28-22-27-20(16-34-22)17-4-2-1-3-5-17/h1-9,16H,10-15H2,(H,27,28,31)
InChIKeyAXENTBNUOWRDSB-UHFFFAOYSA-N
XLogP4.16
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.59
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide (CID 155541688) is N-(4-phenyl-1,3-thiazol-2-yl)-3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-phenyl-1,3-thiazol-2-yl)-3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for N-(4-phenyl-1,3-thiazol-2-yl)-3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide is O=C(CCN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-(4-phenyl-1,3-thiazol-2-yl)-3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide?
The InChIKey is AXENTBNUOWRDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O3S2/c24-23(25,26)18-6-8-19(9-7-18)35(32,33)30-14-12-29(13-15-30)11-10-21(31)28-22-27-20(16-34-22)17-4-2-1-3-5-17/h1-9,16H,10-15H2,(H,27,28,31).
What are the key properties of N-(4-phenyl-1,3-thiazol-2-yl)-3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide?
N-(4-phenyl-1,3-thiazol-2-yl)-3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide has a molecular weight of 524.59 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-1,3-thiazol-2-yl)-3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 155541688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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