N-[4-(difluoromethylsulfanyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

C18H20F2N4OS — CID 3295167

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccn2)CC1)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C18H20F2N4OS/c19-18(20)26-15-6-4-14(5-7-15)22-17(25)13-23-9-11-24(12-10-23)16-3-1-2-8-21-16/h1-8,18H,9-13H2,(H,22,25)
InChIKeyUVHSKNPTKIGWIO-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.16
Rot. Bonds6

About N-[4-(difluoromethylsulfanyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

N-[4-(difluoromethylsulfanyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 3295167) has the molecular formula C18H20F2N4OS and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID3295167
Molecular FormulaC18H20F2N4OS
Molecular Weight378.45 g/mol
Exact Mass378.13
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccn2)CC1)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C18H20F2N4OS/c19-18(20)26-15-6-4-14(5-7-15)22-17(25)13-23-9-11-24(12-10-23)16-3-1-2-8-21-16/h1-8,18H,9-13H2,(H,22,25)
InChIKeyUVHSKNPTKIGWIO-UHFFFAOYSA-N
XLogP3.16
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 109004730
N-(3-fluoro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4566699
N-(3,5-dimethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 15995513
N-(4-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 109030344
N-(3-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 5014292
N-(3-chloro-4-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 5043291
N-(3-methylsulfonylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8618487
N-(2-hydroxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 43509569
N-(2-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 109004729
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 3568652
4-(4-fluoroanilino)-4-oxo-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]butanoic acid
CID 52996743
N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 8993855

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 3295167) is N-[4-(difluoromethylsulfanyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ccccn2)CC1)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is UVHSKNPTKIGWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4OS/c19-18(20)26-15-6-4-14(5-7-15)22-17(25)13-23-9-11-24(12-10-23)16-3-1-2-8-21-16/h1-8,18H,9-13H2,(H,22,25).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-[4-(difluoromethylsulfanyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 378.45 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 3295167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).