N-[2-(difluoromethylsulfanyl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide

C22H25F2N3OS — CID 8549272

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C/C=C/c2ccccc2)CC1)Nc1ccccc1SC(F)F
InChIInChI=1S/C22H25F2N3OS/c23-22(24)29-20-11-5-4-10-19(20)25-21(28)17-27-15-13-26(14-16-27)12-6-9-18-7-2-1-3-8-18/h1-11,22H,12-17H2,(H,25,28)/b9-6+
InChIKeyFMDJAHWMFWIUSI-RMKNXTFCSA-N
MW417.53 g/mol
LogP4.27
Rot. Bonds8

About N-[2-(difluoromethylsulfanyl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide

N-[2-(difluoromethylsulfanyl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide (PubChem CID 8549272) has the molecular formula C22H25F2N3OS and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
PubChem CID8549272
Molecular FormulaC22H25F2N3OS
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C/C=C/c2ccccc2)CC1)Nc1ccccc1SC(F)F
InChIInChI=1S/C22H25F2N3OS/c23-22(24)29-20-11-5-4-10-19(20)25-21(28)17-27-15-13-26(14-16-27)12-6-9-18-7-2-1-3-8-18/h1-11,22H,12-17H2,(H,25,28)/b9-6+
InChIKeyFMDJAHWMFWIUSI-RMKNXTFCSA-N
XLogP4.27
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-naphthalen-1-yl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8544886
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)acetamide
CID 109004517
N-(5-fluoro-2-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 18084912
N-(4-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 6470321
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 108992859
N-[2-(difluoromethylsulfanyl)phenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 8519875
N-[2,6-di(propan-2-yl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8545309
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
N-[2-(difluoromethylsulfanyl)phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130652
4-[[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetyl]amino]benzamide
CID 4834495
2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 4833078
N-(4-chloro-2-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 55345435

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide (CID 8549272) is N-[2-(difluoromethylsulfanyl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C/C=C/c2ccccc2)CC1)Nc1ccccc1SC(F)F.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
The InChIKey is FMDJAHWMFWIUSI-RMKNXTFCSA-N. The full InChI is InChI=1S/C22H25F2N3OS/c23-22(24)29-20-11-5-4-10-19(20)25-21(28)17-27-15-13-26(14-16-27)12-6-9-18-7-2-1-3-8-18/h1-11,22H,12-17H2,(H,25,28)/b9-6+.
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
N-[2-(difluoromethylsulfanyl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide has a molecular weight of 417.53 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 8549272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).