1-[2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one

C17H21F3N4O4S — CID 45352676

IUPAC1-[2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one
SMILESCC(C(=O)N1CCNC1=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H21F3N4O4S/c1-12(15(25)24-6-5-21-16(24)26)22-7-9-23(10-8-22)29(27,28)14-4-2-3-13(11-14)17(18,19)20/h2-4,11-12H,5-10H2,1H3,(H,21,26)
InChIKeyDPNQFPHZGACYBD-UHFFFAOYSA-N
MW434.44 g/mol
LogP0.95
Rot. Bonds4

About 1-[2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one

1-[2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one (PubChem CID 45352676) has the molecular formula C17H21F3N4O4S and a molecular weight of 434.44 g/mol. Its IUPAC name is 1-[2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one
PubChem CID45352676
Molecular FormulaC17H21F3N4O4S
Molecular Weight434.44 g/mol
Exact Mass434.12
IUPAC Name1-[2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one
SMILESCC(C(=O)N1CCNC1=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H21F3N4O4S/c1-12(15(25)24-6-5-21-16(24)26)22-7-9-23(10-8-22)29(27,28)14-4-2-3-13(11-14)17(18,19)20/h2-4,11-12H,5-10H2,1H3,(H,21,26)
InChIKeyDPNQFPHZGACYBD-UHFFFAOYSA-N
XLogP0.95
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one
CID 45351245
1-[(2R)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanoyl]imidazolidin-2-one
CID 8692349
1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one
CID 45352776
(2S)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
CID 8689356
(2S)-N-propyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
CID 9493354
1-[(2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one
CID 8787917
(2R)-2-amino-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one;hydrochloride
CID 119265690
N-(3-methylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
CID 42912172
(2S)-N-(2-methoxyethyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
CID 9493338
1-[(1R)-1-phenylethyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 30493587
N-(2-methylpropylcarbamoyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
CID 55502775
1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 697906

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one (CID 45352676) is 1-[2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one is CC(C(=O)N1CCNC1=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one?
The InChIKey is DPNQFPHZGACYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O4S/c1-12(15(25)24-6-5-21-16(24)26)22-7-9-23(10-8-22)29(27,28)14-4-2-3-13(11-14)17(18,19)20/h2-4,11-12H,5-10H2,1H3,(H,21,26).
What are the key properties of 1-[2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one?
1-[2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one has a molecular weight of 434.44 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one is sourced from PubChem (CID 45352676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).