2-[4-[4-(difluoromethylsulfonyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide

C22H25F2N3O4S — CID 55371884

IUPAC2-[4-[4-(difluoromethylsulfonyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1
InChIInChI=1S/C22H25F2N3O4S/c1-2-16-5-3-4-6-19(16)25-20(28)15-26-11-13-27(14-12-26)21(29)17-7-9-18(10-8-17)32(30,31)22(23)24/h3-10,22H,2,11-15H2,1H3,(H,25,28)
InChIKeyWLQLKZUHECKHKD-UHFFFAOYSA-N
MW465.52 g/mol
LogP2.64
Rot. Bonds7

About 2-[4-[4-(difluoromethylsulfonyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide

2-[4-[4-(difluoromethylsulfonyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide (PubChem CID 55371884) has the molecular formula C22H25F2N3O4S and a molecular weight of 465.52 g/mol. Its IUPAC name is 2-[4-[4-(difluoromethylsulfonyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[4-(difluoromethylsulfonyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
PubChem CID55371884
Molecular FormulaC22H25F2N3O4S
Molecular Weight465.52 g/mol
Exact Mass465.15
IUPAC Name2-[4-[4-(difluoromethylsulfonyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1
InChIInChI=1S/C22H25F2N3O4S/c1-2-16-5-3-4-6-19(16)25-20(28)15-26-11-13-27(14-12-26)21(29)17-7-9-18(10-8-17)32(30,31)22(23)24/h3-10,22H,2,11-15H2,1H3,(H,25,28)
InChIKeyWLQLKZUHECKHKD-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

N-[4-(difluoromethylsulfonyl)phenyl]-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 30872026
[4-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazine-1-carbonyl]phenyl] acetate
CID 9022475
2-[4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 27851906
N-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride
CID 120703347
N-(2-ethylphenyl)-2-[4-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]acetamide
CID 24547654
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
2-[4-(3-aminobutanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 119833554
2-[4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 42917736
2-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 9022419
N-(2-ethylphenyl)-2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]acetamide
CID 32709303
2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 27851954
N-(2-ethylphenyl)-2-[4-(3-methoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide
CID 27851838

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(difluoromethylsulfonyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[4-[4-(difluoromethylsulfonyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide (CID 55371884) is 2-[4-[4-(difluoromethylsulfonyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[4-(difluoromethylsulfonyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[4-[4-(difluoromethylsulfonyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1.
What is the InChIKey of 2-[4-[4-(difluoromethylsulfonyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The InChIKey is WLQLKZUHECKHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O4S/c1-2-16-5-3-4-6-19(16)25-20(28)15-26-11-13-27(14-12-26)21(29)17-7-9-18(10-8-17)32(30,31)22(23)24/h3-10,22H,2,11-15H2,1H3,(H,25,28).
What are the key properties of 2-[4-[4-(difluoromethylsulfonyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
2-[4-[4-(difluoromethylsulfonyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)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 2-[4-[4-(difluoromethylsulfonyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 55371884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).