2-[4-(4-ethyl-2-methylphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-2-methylpropanamide

C17H27N3O4S — CID 21068643

IUPAC2-[4-(4-ethyl-2-methylphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-2-methylpropanamide
SMILESCCc1ccc(N2CCN(S(=O)(=O)C(C)(C)C(=O)NO)CC2)c(C)c1
InChIInChI=1S/C17H27N3O4S/c1-5-14-6-7-15(13(2)12-14)19-8-10-20(11-9-19)25(23,24)17(3,4)16(21)18-22/h6-7,12,22H,5,8-11H2,1-4H3,(H,18,21)
InChIKeyYVNYYPLKZFIVTN-UHFFFAOYSA-N
MW369.49 g/mol
LogP1.29
Rot. Bonds5

About 2-[4-(4-ethyl-2-methylphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-2-methylpropanamide

2-[4-(4-ethyl-2-methylphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-2-methylpropanamide (PubChem CID 21068643) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-[4-(4-ethyl-2-methylphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-(4-ethyl-2-methylphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-2-methylpropanamide
PubChem CID21068643
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name2-[4-(4-ethyl-2-methylphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-2-methylpropanamide
SMILESCCc1ccc(N2CCN(S(=O)(=O)C(C)(C)C(=O)NO)CC2)c(C)c1
InChIInChI=1S/C17H27N3O4S/c1-5-14-6-7-15(13(2)12-14)19-8-10-20(11-9-19)25(23,24)17(3,4)16(21)18-22/h6-7,12,22H,5,8-11H2,1-4H3,(H,18,21)
InChIKeyYVNYYPLKZFIVTN-UHFFFAOYSA-N
XLogP1.29
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-(bromomethyl)-2-methylphenyl]-4-methylsulfonylpiperazine
CID 107083157
1-(2,4-dimethylphenyl)-4-ethylsulfonylpiperazine
CID 23987033
N,N-diethyl-3-methyl-4-(4-methylsulfonylpiperazin-1-yl)aniline
CID 113080714
1-ethylsulfonyl-4-(2-methylphenyl)piperazine
CID 6468889
2-methyl-N-[(3-methyl-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 62120126
1-(5-chloro-2-methylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 19682893
N-[[4-[4-(2-methylphenyl)piperazin-1-yl]sulfonylphenyl]methyl]ethanamine
CID 71040305
1-[4-[4-(diethylamino)-2-methylphenyl]piperazin-1-yl]ethanone
CID 113080662
N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylphenyl]methyl]ethanamine
CID 62120512
4-ethyl-2-methylbenzenesulfonic acid
CID 87265774
1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine
CID 2137807
1-(4-chloro-2-methylphenyl)-4-methylsulfonylpiperazine
CID 110357995

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethyl-2-methylphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-2-methylpropanamide?
The IUPAC name of 2-[4-(4-ethyl-2-methylphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-2-methylpropanamide (CID 21068643) is 2-[4-(4-ethyl-2-methylphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-2-methylpropanamide.
What is the SMILES notation for 2-[4-(4-ethyl-2-methylphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-2-methylpropanamide?
The canonical SMILES for 2-[4-(4-ethyl-2-methylphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-2-methylpropanamide is CCc1ccc(N2CCN(S(=O)(=O)C(C)(C)C(=O)NO)CC2)c(C)c1.
What is the InChIKey of 2-[4-(4-ethyl-2-methylphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-2-methylpropanamide?
The InChIKey is YVNYYPLKZFIVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-5-14-6-7-15(13(2)12-14)19-8-10-20(11-9-19)25(23,24)17(3,4)16(21)18-22/h6-7,12,22H,5,8-11H2,1-4H3,(H,18,21).
What are the key properties of 2-[4-(4-ethyl-2-methylphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-2-methylpropanamide?
2-[4-(4-ethyl-2-methylphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-2-methylpropanamide has a molecular weight of 369.49 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethyl-2-methylphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-2-methylpropanamide is sourced from PubChem (CID 21068643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).