(2S)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide

C16H22F3N3O3S — CID 8689356

IUPAC(2S)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
SMILESCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H22F3N3O3S/c1-3-20-15(23)12(2)21-7-9-22(10-8-21)26(24,25)14-6-4-5-13(11-14)16(17,18)19/h4-6,11-12H,3,7-10H2,1-2H3,(H,20,23)/t12-/m0/s1
InChIKeyNGHIDWWNODDPEY-LBPRGKRZSA-N
MW393.43 g/mol
LogP1.54
Rot. Bonds5

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

(2S)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide (PubChem CID 8689356) has the molecular formula C16H22F3N3O3S and a molecular weight of 393.43 g/mol. Its IUPAC name is (2S)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
PubChem CID8689356
Molecular FormulaC16H22F3N3O3S
Molecular Weight393.43 g/mol
Exact Mass393.13
IUPAC Name(2S)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
SMILESCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H22F3N3O3S/c1-3-20-15(23)12(2)21-7-9-22(10-8-21)26(24,25)14-6-4-5-13(11-14)16(17,18)19/h4-6,11-12H,3,7-10H2,1-2H3,(H,20,23)/t12-/m0/s1
InChIKeyNGHIDWWNODDPEY-LBPRGKRZSA-N
XLogP1.54
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-propyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
CID 9493354
(2S)-N-(2-methoxyethyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
CID 9493338
N-(2-methylpropylcarbamoyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
CID 55502775
N-(3-methylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
CID 42912172
N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 37307613
(2S)-N-ethyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8688391
(2S)-2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-ethylpropanamide
CID 8599567
N-butan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 42913680
1-[2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one
CID 45352676
N-propan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 40752351
(2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-ethylpropanamide
CID 8599795
1-[(1R)-1-phenylethyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 30493587

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide (CID 8689356) is (2S)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide is CCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of (2S)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide?
The InChIKey is NGHIDWWNODDPEY-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22F3N3O3S/c1-3-20-15(23)12(2)21-7-9-22(10-8-21)26(24,25)14-6-4-5-13(11-14)16(17,18)19/h4-6,11-12H,3,7-10H2,1-2H3,(H,20,23)/t12-/m0/s1.
What are the key properties of (2S)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide?
(2S)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide has a molecular weight of 393.43 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 8689356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).