N-[4-(difluoromethylsulfonyl)phenyl]-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide

C22H25F2N3O4S — CID 30872026

IUPACN-[4-(difluoromethylsulfonyl)phenyl]-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
SMILESCCc1ccc(C(=O)N2CCN(CC(=O)Nc3ccc(S(=O)(=O)C(F)F)cc3)CC2)cc1
InChIInChI=1S/C22H25F2N3O4S/c1-2-16-3-5-17(6-4-16)21(29)27-13-11-26(12-14-27)15-20(28)25-18-7-9-19(10-8-18)32(30,31)22(23)24/h3-10,22H,2,11-15H2,1H3,(H,25,28)
InChIKeyQUJSAQLYZFITGG-UHFFFAOYSA-N
MW465.52 g/mol
LogP2.64
Rot. Bonds7

About N-[4-(difluoromethylsulfonyl)phenyl]-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide

N-[4-(difluoromethylsulfonyl)phenyl]-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide (PubChem CID 30872026) has the molecular formula C22H25F2N3O4S and a molecular weight of 465.52 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfonyl)phenyl]-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfonyl)phenyl]-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
PubChem CID30872026
Molecular FormulaC22H25F2N3O4S
Molecular Weight465.52 g/mol
Exact Mass465.15
IUPAC NameN-[4-(difluoromethylsulfonyl)phenyl]-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
SMILESCCc1ccc(C(=O)N2CCN(CC(=O)Nc3ccc(S(=O)(=O)C(F)F)cc3)CC2)cc1
InChIInChI=1S/C22H25F2N3O4S/c1-2-16-3-5-17(6-4-16)21(29)27-13-11-26(12-14-27)15-20(28)25-18-7-9-19(10-8-18)32(30,31)22(23)24/h3-10,22H,2,11-15H2,1H3,(H,25,28)
InChIKeyQUJSAQLYZFITGG-UHFFFAOYSA-N
XLogP2.64
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.52
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-(difluoromethylsulfonyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 55371884
N-(4-chlorophenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 35125248
2-(4-benzoylpiperazin-1-yl)-N-(4-ethylphenyl)acetamide
CID 9223540
N-(4-ethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8747486
N-(4-ethylphenyl)-2-[4-[2-(propan-2-ylamino)acetyl]piperazin-1-yl]acetamide
CID 177160364
N-(4-ethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196973
N-(2,3-dimethylphenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 27859906
2-[4-(4-methylbenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9020888
N-(4-ethylphenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195926
4-ethyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 110602635
N-ethyl-4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 32771990
[4-(difluoromethylsulfonyl)phenyl]-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone
CID 75399592

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide (CID 30872026) is N-[4-(difluoromethylsulfonyl)phenyl]-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[4-(difluoromethylsulfonyl)phenyl]-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[4-(difluoromethylsulfonyl)phenyl]-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide is CCc1ccc(C(=O)N2CCN(CC(=O)Nc3ccc(S(=O)(=O)C(F)F)cc3)CC2)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfonyl)phenyl]-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide?
The InChIKey is QUJSAQLYZFITGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O4S/c1-2-16-3-5-17(6-4-16)21(29)27-13-11-26(12-14-27)15-20(28)25-18-7-9-19(10-8-18)32(30,31)22(23)24/h3-10,22H,2,11-15H2,1H3,(H,25,28).
What are the key properties of N-[4-(difluoromethylsulfonyl)phenyl]-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide?
N-[4-(difluoromethylsulfonyl)phenyl]-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide has a molecular weight of 465.52 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfonyl)phenyl]-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 30872026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).