2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,4-difluorophenyl)propanamide

C20H23F2N3O3S — CID 17487365

IUPAC2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,4-difluorophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1F)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C20H23F2N3O3S/c1-15(20(26)23-19-8-7-17(21)13-18(19)22)24-9-11-25(12-10-24)29(27,28)14-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H,23,26)
InChIKeyMRTSHXFHAAOHCQ-UHFFFAOYSA-N
MW423.49 g/mol
LogP2.44
Rot. Bonds6

About 2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,4-difluorophenyl)propanamide

2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,4-difluorophenyl)propanamide (PubChem CID 17487365) has the molecular formula C20H23F2N3O3S and a molecular weight of 423.49 g/mol. Its IUPAC name is 2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,4-difluorophenyl)propanamide
PubChem CID17487365
Molecular FormulaC20H23F2N3O3S
Molecular Weight423.49 g/mol
Exact Mass423.14
IUPAC Name2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,4-difluorophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1F)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C20H23F2N3O3S/c1-15(20(26)23-19-8-7-17(21)13-18(19)22)24-9-11-25(12-10-24)29(27,28)14-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H,23,26)
InChIKeyMRTSHXFHAAOHCQ-UHFFFAOYSA-N
XLogP2.44
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 26371067
(2S)-2-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)propanamide
CID 9430606
(2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide
CID 25372783
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)propanamide
CID 46630871
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)propanamide
CID 9444961
(2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide
CID 9443234
(2S)-N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8512483
N-(2,4-difluorophenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide
CID 86914703
N-(1,3-benzothiazol-2-yl)-2-(4-benzylsulfonylpiperazin-1-yl)propanamide
CID 60501385
1-benzylsulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine
CID 8694227
(2S)-N-(2,4-difluorophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
CID 9495119
(2R)-N-(2,4-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
CID 100851243

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,4-difluorophenyl)propanamide?
The IUPAC name of 2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,4-difluorophenyl)propanamide (CID 17487365) is 2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for 2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,4-difluorophenyl)propanamide?
The canonical SMILES for 2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,4-difluorophenyl)propanamide is CC(C(=O)Nc1ccc(F)cc1F)N1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,4-difluorophenyl)propanamide?
The InChIKey is MRTSHXFHAAOHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O3S/c1-15(20(26)23-19-8-7-17(21)13-18(19)22)24-9-11-25(12-10-24)29(27,28)14-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H,23,26).
What are the key properties of 2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,4-difluorophenyl)propanamide?
2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,4-difluorophenyl)propanamide has a molecular weight of 423.49 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 17487365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).