N-[(2-chlorophenyl)methyl]-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide

C22H28ClN3O3S — CID 39894799

IUPACN-[(2-chlorophenyl)methyl]-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(CC(=O)NCc3ccccc3Cl)CC2)c(C)c1
InChIInChI=1S/C22H28ClN3O3S/c1-16-12-17(2)22(18(3)13-16)30(28,29)26-10-8-25(9-11-26)15-21(27)24-14-19-6-4-5-7-20(19)23/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,24,27)
InChIKeyMFZUIVAHRZXVSD-UHFFFAOYSA-N
MW450.00 g/mol
LogP2.89
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide

N-[(2-chlorophenyl)methyl]-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 39894799) has the molecular formula C22H28ClN3O3S and a molecular weight of 450.00 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID39894799
Molecular FormulaC22H28ClN3O3S
Molecular Weight450.00 g/mol
Exact Mass449.15
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(CC(=O)NCc3ccccc3Cl)CC2)c(C)c1
InChIInChI=1S/C22H28ClN3O3S/c1-16-12-17(2)22(18(3)13-16)30(28,29)26-10-8-25(9-11-26)15-21(27)24-14-19-6-4-5-7-20(19)23/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,24,27)
InChIKeyMFZUIVAHRZXVSD-UHFFFAOYSA-N
XLogP2.89
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.00
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 26567609
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
CID 2455653
N-[(2-chlorophenyl)methyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27217730
N-[(4-methoxyphenyl)methyl]-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 71902983
N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 2655772
N-[(2-chlorophenyl)methyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266447
N-[(2-chlorophenyl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34732047
N-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773522
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 38748405
N-[(2-chlorophenyl)methyl]-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 2500391
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 8688511
N-[(2R)-3-methylbutan-2-yl]-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8553724

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide (CID 39894799) is N-[(2-chlorophenyl)methyl]-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide is Cc1cc(C)c(S(=O)(=O)N2CCN(CC(=O)NCc3ccccc3Cl)CC2)c(C)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is MFZUIVAHRZXVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O3S/c1-16-12-17(2)22(18(3)13-16)30(28,29)26-10-8-25(9-11-26)15-21(27)24-14-19-6-4-5-7-20(19)23/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,24,27).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide?
N-[(2-chlorophenyl)methyl]-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 450.00 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 39894799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).