3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide

C23H24N4O5S — CID 46518188

IUPAC3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide
SMILESO=C(CCN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C23H24N4O5S/c28-23(24-21-7-3-4-8-22(21)27(29)30)11-12-25-13-15-26(16-14-25)33(31,32)20-10-9-18-5-1-2-6-19(18)17-20/h1-10,17H,11-16H2,(H,24,28)
InChIKeyYANJWIYYVJFNDS-UHFFFAOYSA-N
MW468.54 g/mol
LogP3.08
Rot. Bonds7

About 3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide

3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide (PubChem CID 46518188) has the molecular formula C23H24N4O5S and a molecular weight of 468.54 g/mol. Its IUPAC name is 3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide
PubChem CID46518188
Molecular FormulaC23H24N4O5S
Molecular Weight468.54 g/mol
Exact Mass468.15
IUPAC Name3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide
SMILESO=C(CCN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C23H24N4O5S/c28-23(24-21-7-3-4-8-22(21)27(29)30)11-12-25-13-15-26(16-14-25)33(31,32)20-10-9-18-5-1-2-6-19(18)17-20/h1-10,17H,11-16H2,(H,24,28)
InChIKeyYANJWIYYVJFNDS-UHFFFAOYSA-N
XLogP3.08
TPSA112.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(4-benzylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide
CID 14762588
3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-3-nitrophenyl)propanamide
CID 38752016
3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-nitrophenyl)propanamide
CID 55626282
3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-nitrophenyl)propanamide
CID 46518147
N-(2-methyl-3-nitrophenyl)-3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propanamide
CID 46564093
N-methyl-N'-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]oxamide
CID 3150874
N-(2-nitrophenyl)-3-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide
CID 112810361
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 27185929
1-naphthalen-2-ylsulfonyl-4-[(3-nitrophenyl)methyl]piperazine;oxalic acid
CID 2901433
N-(methylcarbamoyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 8743046
N-(2-fluorophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide
CID 2655894
N-(2-chlorophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide
CID 2086351

Frequently Asked Questions

What is the IUPAC name of 3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide?
The IUPAC name of 3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide (CID 46518188) is 3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide.
What is the SMILES notation for 3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide?
The canonical SMILES for 3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide is O=C(CCN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide?
The InChIKey is YANJWIYYVJFNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5S/c28-23(24-21-7-3-4-8-22(21)27(29)30)11-12-25-13-15-26(16-14-25)33(31,32)20-10-9-18-5-1-2-6-19(18)17-20/h1-10,17H,11-16H2,(H,24,28).
What are the key properties of 3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide?
3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide has a molecular weight of 468.54 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide is sourced from PubChem (CID 46518188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).