N-(4-fluorophenyl)-2-[4-[2-(2-fluorophenyl)sulfanylethyl]piperazin-1-yl]acetamide

C20H23F2N3OS — CID 8719281

IUPACN-(4-fluorophenyl)-2-[4-[2-(2-fluorophenyl)sulfanylethyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(CCSc2ccccc2F)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C20H23F2N3OS/c21-16-5-7-17(8-6-16)23-20(26)15-25-11-9-24(10-12-25)13-14-27-19-4-2-1-3-18(19)22/h1-8H,9-15H2,(H,23,26)
InChIKeyBWYUHMJRWKGTRX-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.31
Rot. Bonds7

About N-(4-fluorophenyl)-2-[4-[2-(2-fluorophenyl)sulfanylethyl]piperazin-1-yl]acetamide

N-(4-fluorophenyl)-2-[4-[2-(2-fluorophenyl)sulfanylethyl]piperazin-1-yl]acetamide (PubChem CID 8719281) has the molecular formula C20H23F2N3OS and a molecular weight of 391.49 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-[2-(2-fluorophenyl)sulfanylethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-[2-(2-fluorophenyl)sulfanylethyl]piperazin-1-yl]acetamide
PubChem CID8719281
Molecular FormulaC20H23F2N3OS
Molecular Weight391.49 g/mol
Exact Mass391.15
IUPAC NameN-(4-fluorophenyl)-2-[4-[2-(2-fluorophenyl)sulfanylethyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(CCSc2ccccc2F)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C20H23F2N3OS/c21-16-5-7-17(8-6-16)23-20(26)15-25-11-9-24(10-12-25)13-14-27-19-4-2-1-3-18(19)22/h1-8H,9-15H2,(H,23,26)
InChIKeyBWYUHMJRWKGTRX-UHFFFAOYSA-N
XLogP3.31
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-2-[4-[2-(2-fluorophenyl)sulfanylethyl]piperazin-1-yl]acetamide
CID 8711213
2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 847262
2-[4-(4-cyanobutyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 51260666
N-(4-fluorophenyl)-2-[4-(2-hydroxybenzoyl)piperazin-1-yl]acetamide
CID 27849870
N-(4-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide
CID 8719101
2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8719141
N-(4-fluorophenyl)-2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29166438
N-(4-fluorophenyl)-2-[4-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]piperazin-1-yl]acetamide
CID 8719392
N-(4-fluorophenyl)-2-[4-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8719254
N-(4-fluorophenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]-methylamino]acetamide
CID 16520353
N-(4-fluorophenyl)-2-[4-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]piperazin-1-yl]acetamide
CID 30734011
(2S)-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 9435992

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-[2-(2-fluorophenyl)sulfanylethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-[2-(2-fluorophenyl)sulfanylethyl]piperazin-1-yl]acetamide (CID 8719281) is N-(4-fluorophenyl)-2-[4-[2-(2-fluorophenyl)sulfanylethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-[2-(2-fluorophenyl)sulfanylethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-[2-(2-fluorophenyl)sulfanylethyl]piperazin-1-yl]acetamide is O=C(CN1CCN(CCSc2ccccc2F)CC1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-[2-(2-fluorophenyl)sulfanylethyl]piperazin-1-yl]acetamide?
The InChIKey is BWYUHMJRWKGTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3OS/c21-16-5-7-17(8-6-16)23-20(26)15-25-11-9-24(10-12-25)13-14-27-19-4-2-1-3-18(19)22/h1-8H,9-15H2,(H,23,26).
What are the key properties of N-(4-fluorophenyl)-2-[4-[2-(2-fluorophenyl)sulfanylethyl]piperazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-[2-(2-fluorophenyl)sulfanylethyl]piperazin-1-yl]acetamide has a molecular weight of 391.49 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-[2-(2-fluorophenyl)sulfanylethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 8719281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).