(2S)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide

C23H28F3N3O3S — CID 26301263

IUPAC(2S)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C23H28F3N3O3S/c1-16(2)18-8-10-19(11-9-18)33(31,32)29-14-12-28(13-15-29)17(3)22(30)27-21-7-5-4-6-20(21)23(24,25)26/h4-11,16-17H,12-15H2,1-3H3,(H,27,30)/t17-/m0/s1
InChIKeyMDWRVFLDYWYDJI-KRWDZBQOSA-N
MW483.56 g/mol
LogP4.16
Rot. Bonds6

About (2S)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide

(2S)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 26301263) has the molecular formula C23H28F3N3O3S and a molecular weight of 483.56 g/mol. Its IUPAC name is (2S)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID26301263
Molecular FormulaC23H28F3N3O3S
Molecular Weight483.56 g/mol
Exact Mass483.18
IUPAC Name(2S)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C23H28F3N3O3S/c1-16(2)18-8-10-19(11-9-18)33(31,32)29-14-12-28(13-15-29)17(3)22(30)27-21-7-5-4-6-20(21)23(24,25)26/h4-11,16-17H,12-15H2,1-3H3,(H,27,30)/t17-/m0/s1
InChIKeyMDWRVFLDYWYDJI-KRWDZBQOSA-N
XLogP4.16
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.56
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4244464
(2S)-N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8512483
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 55498397
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 24506631
[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 26267145
(2R)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 8512506
(2S)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 2574388
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46563153
N-(2-chlorophenyl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide
CID 18094837
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 55354654
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(5-chloro-2-fluorophenyl)propanamide
CID 134038394
2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2S)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide (CID 26301263) is (2S)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide is CC(C)c1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1.
What is the InChIKey of (2S)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is MDWRVFLDYWYDJI-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H28F3N3O3S/c1-16(2)18-8-10-19(11-9-18)33(31,32)29-14-12-28(13-15-29)17(3)22(30)27-21-7-5-4-6-20(21)23(24,25)26/h4-11,16-17H,12-15H2,1-3H3,(H,27,30)/t17-/m0/s1.
What are the key properties of (2S)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide?
(2S)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 483.56 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 26301263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).