2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-ylacetamide

C23H25N3O3S — CID 9104805

IUPAC2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-ylacetamide
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C23H25N3O3S/c1-18-9-11-20(12-10-18)30(28,29)26-15-13-25(14-16-26)17-23(27)24-22-8-4-6-19-5-2-3-7-21(19)22/h2-12H,13-17H2,1H3,(H,24,27)
InChIKeyIVRTUVDKMXLURC-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.09
Rot. Bonds5

About 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-ylacetamide

2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-ylacetamide (PubChem CID 9104805) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-ylacetamide
PubChem CID9104805
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-ylacetamide
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C23H25N3O3S/c1-18-9-11-20(12-10-18)30(28,29)26-15-13-25(14-16-26)17-23(27)24-22-8-4-6-19-5-2-3-7-21(19)22/h2-12H,13-17H2,1H3,(H,24,27)
InChIKeyIVRTUVDKMXLURC-UHFFFAOYSA-N
XLogP3.09
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 7026017
2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 4828514
2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 55354494
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 2655486
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 55437029
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 8743992
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(1-naphthalen-1-ylethylideneamino)acetamide
CID 3509582
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 1039252
N-(4-bromo-2-methylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 27174526
(3R)-1-(4-methylphenyl)sulfonyl-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 1078452
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-quinolin-5-ylacetamide
CID 43038830
N-(2,5-dimethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8747504

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-ylacetamide (CID 9104805) is 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-ylacetamide is Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cccc4ccccc34)CC2)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-ylacetamide?
The InChIKey is IVRTUVDKMXLURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-18-9-11-20(12-10-18)30(28,29)26-15-13-25(14-16-26)17-23(27)24-22-8-4-6-19-5-2-3-7-21(19)22/h2-12H,13-17H2,1H3,(H,24,27).
What are the key properties of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-ylacetamide?
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-ylacetamide has a molecular weight of 423.54 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 9104805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).