N-[4-(4-methylsulfonylpiperazin-1-yl)-3-(phenoxymethyl)phenyl]acetamide

C20H25N3O4S — CID 143824841

IUPACN-[4-(4-methylsulfonylpiperazin-1-yl)-3-(phenoxymethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)c(COc2ccccc2)c1
InChIInChI=1S/C20H25N3O4S/c1-16(24)21-18-8-9-20(22-10-12-23(13-11-22)28(2,25)26)17(14-18)15-27-19-6-4-3-5-7-19/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)
InChIKeyDIHZGZZYESRIPE-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.31
Rot. Bonds6

About N-[4-(4-methylsulfonylpiperazin-1-yl)-3-(phenoxymethyl)phenyl]acetamide

N-[4-(4-methylsulfonylpiperazin-1-yl)-3-(phenoxymethyl)phenyl]acetamide (PubChem CID 143824841) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[4-(4-methylsulfonylpiperazin-1-yl)-3-(phenoxymethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-methylsulfonylpiperazin-1-yl)-3-(phenoxymethyl)phenyl]acetamide
PubChem CID143824841
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-[4-(4-methylsulfonylpiperazin-1-yl)-3-(phenoxymethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)c(COc2ccccc2)c1
InChIInChI=1S/C20H25N3O4S/c1-16(24)21-18-8-9-20(22-10-12-23(13-11-22)28(2,25)26)17(14-18)15-27-19-6-4-3-5-7-19/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)
InChIKeyDIHZGZZYESRIPE-UHFFFAOYSA-N
XLogP2.31
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(4-methylphenoxy)methyl]-4-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide
CID 59549060
1-[2-[(4-methylphenoxy)methyl]-4-nitrophenyl]-4-methylsulfonylpiperazine
CID 59549070
N-[3-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-5-yl]-2-(4-phenylmethoxyphenyl)acetamide
CID 24989474
(4-methylsulfonylpiperazin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone
CID 51305572
1-methylsulfonyl-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 1082619
3-ethoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 3557458
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide
CID 2995302
2-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-phenoxypropanamide
CID 30309424
N-[4-[(2-methylphenyl)methoxy]phenyl]acetamide
CID 7642527
[4-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]methanol
CID 81237350
2-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide
CID 8559994
N-(3-acetamidophenyl)-4-(4-methylsulfonylpiperazin-1-yl)-4-oxobutanamide
CID 42534412

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylsulfonylpiperazin-1-yl)-3-(phenoxymethyl)phenyl]acetamide?
The IUPAC name of N-[4-(4-methylsulfonylpiperazin-1-yl)-3-(phenoxymethyl)phenyl]acetamide (CID 143824841) is N-[4-(4-methylsulfonylpiperazin-1-yl)-3-(phenoxymethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(4-methylsulfonylpiperazin-1-yl)-3-(phenoxymethyl)phenyl]acetamide?
The canonical SMILES for N-[4-(4-methylsulfonylpiperazin-1-yl)-3-(phenoxymethyl)phenyl]acetamide is CC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)c(COc2ccccc2)c1.
What is the InChIKey of N-[4-(4-methylsulfonylpiperazin-1-yl)-3-(phenoxymethyl)phenyl]acetamide?
The InChIKey is DIHZGZZYESRIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-16(24)21-18-8-9-20(22-10-12-23(13-11-22)28(2,25)26)17(14-18)15-27-19-6-4-3-5-7-19/h3-9,14H,10-13,15H2,1-2H3,(H,21,24).
What are the key properties of N-[4-(4-methylsulfonylpiperazin-1-yl)-3-(phenoxymethyl)phenyl]acetamide?
N-[4-(4-methylsulfonylpiperazin-1-yl)-3-(phenoxymethyl)phenyl]acetamide has a molecular weight of 403.50 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylsulfonylpiperazin-1-yl)-3-(phenoxymethyl)phenyl]acetamide is sourced from PubChem (CID 143824841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).