N-[4-(difluoromethylsulfanyl)phenyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide

C20H23F2N3OS — CID 112801831

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2ccc(SC(F)F)cc2)C(c2ccccc2)C1
InChIInChI=1S/C20H23F2N3OS/c1-24-11-12-25(18(13-24)15-5-3-2-4-6-15)14-19(26)23-16-7-9-17(10-8-16)27-20(21)22/h2-10,18,20H,11-14H2,1H3,(H,23,26)
InChIKeyHJYIKZBCJUMLIF-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.93
Rot. Bonds6

About N-[4-(difluoromethylsulfanyl)phenyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide

N-[4-(difluoromethylsulfanyl)phenyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide (PubChem CID 112801831) has the molecular formula C20H23F2N3OS and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
PubChem CID112801831
Molecular FormulaC20H23F2N3OS
Molecular Weight391.49 g/mol
Exact Mass391.15
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2ccc(SC(F)F)cc2)C(c2ccccc2)C1
InChIInChI=1S/C20H23F2N3OS/c1-24-11-12-25(18(13-24)15-5-3-2-4-6-15)14-19(26)23-16-7-9-17(10-8-16)27-20(21)22/h2-10,18,20H,11-14H2,1H3,(H,23,26)
InChIKeyHJYIKZBCJUMLIF-UHFFFAOYSA-N
XLogP3.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
CID 112801852
N-[4-(difluoromethylsulfanyl)phenyl]-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 18087478
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 120761115
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 120759094
N-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
CID 46957686
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
CID 112801951
1-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 18125194
N-phenyl-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 18137699
3,3-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)butan-2-one
CID 43229060
N-[4-(difluoromethylsulfanyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 3295167
N-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 111462087
N-(4-methoxyphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 40810435

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide (CID 112801831) is N-[4-(difluoromethylsulfanyl)phenyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)Nc2ccc(SC(F)F)cc2)C(c2ccccc2)C1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide?
The InChIKey is HJYIKZBCJUMLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3OS/c1-24-11-12-25(18(13-24)15-5-3-2-4-6-15)14-19(26)23-16-7-9-17(10-8-16)27-20(21)22/h2-10,18,20H,11-14H2,1H3,(H,23,26).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide?
N-[4-(difluoromethylsulfanyl)phenyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide has a molecular weight of 391.49 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 112801831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).