(2R)-N-ethyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylpropanamide

C21H26FN3O3S — CID 8690029

IUPAC(2R)-N-ethyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylpropanamide
SMILESCCN(C(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccccc1
InChIInChI=1S/C21H26FN3O3S/c1-3-25(18-9-5-4-6-10-18)21(26)17(2)23-13-15-24(16-14-23)29(27,28)20-12-8-7-11-19(20)22/h4-12,17H,3,13-16H2,1-2H3/t17-/m1/s1
InChIKeyWTZHUZGFDRYFDN-QGZVFWFLSA-N
MW419.52 g/mol
LogP2.57
Rot. Bonds6

About (2R)-N-ethyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylpropanamide

(2R)-N-ethyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylpropanamide (PubChem CID 8690029) has the molecular formula C21H26FN3O3S and a molecular weight of 419.52 g/mol. Its IUPAC name is (2R)-N-ethyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N-ethyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylpropanamide
PubChem CID8690029
Molecular FormulaC21H26FN3O3S
Molecular Weight419.52 g/mol
Exact Mass419.17
IUPAC Name(2R)-N-ethyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylpropanamide
SMILESCCN(C(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccccc1
InChIInChI=1S/C21H26FN3O3S/c1-3-25(18-9-5-4-6-10-18)21(26)17(2)23-13-15-24(16-14-23)29(27,28)20-12-8-7-11-19(20)22/h4-12,17H,3,13-16H2,1-2H3/t17-/m1/s1
InChIKeyWTZHUZGFDRYFDN-QGZVFWFLSA-N
XLogP2.57
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-ethyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenylpropanamide
CID 8690036
(2R)-N-benzhydryl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 41119753
(2S)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-prop-2-enylpropanamide
CID 9493487
(2S)-N-ethyl-2-(4-hydroxypiperidin-1-yl)-N-phenylpropanamide
CID 94333132
N-ethyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-phenylpropanamide
CID 111489569
N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 110881386
(2S)-N-ethyl-N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 8595023
1-[1-(N-ethylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119906953
(2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 9493517
N-ethyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]-N-phenylpropanamide
CID 86904519
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-phenylacetamide
CID 40702187
(2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide
CID 9493537

Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylpropanamide?
The IUPAC name of (2R)-N-ethyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylpropanamide (CID 8690029) is (2R)-N-ethyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylpropanamide.
What is the SMILES notation for (2R)-N-ethyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylpropanamide?
The canonical SMILES for (2R)-N-ethyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylpropanamide is CCN(C(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccccc1.
What is the InChIKey of (2R)-N-ethyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylpropanamide?
The InChIKey is WTZHUZGFDRYFDN-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26FN3O3S/c1-3-25(18-9-5-4-6-10-18)21(26)17(2)23-13-15-24(16-14-23)29(27,28)20-12-8-7-11-19(20)22/h4-12,17H,3,13-16H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-N-ethyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylpropanamide?
(2R)-N-ethyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylpropanamide has a molecular weight of 419.52 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylpropanamide is sourced from PubChem (CID 8690029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).