2-(3-methylphenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide

C21H27N3O3S — CID 7188820

IUPAC2-(3-methylphenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide
SMILESCc1cccc(CC(=O)NCCS(=O)(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C21H27N3O3S/c1-18-6-5-7-19(16-18)17-21(25)22-10-15-28(26,27)24-13-11-23(12-14-24)20-8-3-2-4-9-20/h2-9,16H,10-15,17H2,1H3,(H,22,25)
InChIKeyGQDOFEFYPKPHOZ-UHFFFAOYSA-N
MW401.53 g/mol
LogP1.81
Rot. Bonds7

About 2-(3-methylphenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide

2-(3-methylphenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide (PubChem CID 7188820) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide
PubChem CID7188820
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name2-(3-methylphenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide
SMILESCc1cccc(CC(=O)NCCS(=O)(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C21H27N3O3S/c1-18-6-5-7-19(16-18)17-21(25)22-10-15-28(26,27)24-13-11-23(12-14-24)20-8-3-2-4-9-20/h2-9,16H,10-15,17H2,1H3,(H,22,25)
InChIKeyGQDOFEFYPKPHOZ-UHFFFAOYSA-N
XLogP1.81
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxyacetamide
CID 25285489
N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-4-phenylbutanamide
CID 42175850
2-benzylsulfanyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]acetamide
CID 42175839
N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-2-phenylacetamide
CID 110345252
2-(4-methoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 25285504
N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-phenoxyacetamide
CID 42175822
N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-thiophen-2-ylacetamide
CID 42175849
2-(4-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175274
N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42175183
2-chloro-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]propanamide
CID 44961224
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
CID 18565368
2-naphthalen-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175277

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide (CID 7188820) is 2-(3-methylphenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide is Cc1cccc(CC(=O)NCCS(=O)(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide?
The InChIKey is GQDOFEFYPKPHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-18-6-5-7-19(16-18)17-21(25)22-10-15-28(26,27)24-13-11-23(12-14-24)20-8-3-2-4-9-20/h2-9,16H,10-15,17H2,1H3,(H,22,25).
What are the key properties of 2-(3-methylphenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide?
2-(3-methylphenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide has a molecular weight of 401.53 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide is sourced from PubChem (CID 7188820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).