3-(4-methylpiperazin-1-yl)sulfonyl-N-(3-phenylpropyl)propanamide

C17H27N3O3S — CID 110343189

IUPAC3-(4-methylpiperazin-1-yl)sulfonyl-N-(3-phenylpropyl)propanamide
SMILESCN1CCN(S(=O)(=O)CCC(=O)NCCCc2ccccc2)CC1
InChIInChI=1S/C17H27N3O3S/c1-19-11-13-20(14-12-19)24(22,23)15-9-17(21)18-10-5-8-16-6-3-2-4-7-16/h2-4,6-7H,5,8-15H2,1H3,(H,18,21)
InChIKeyPLPSSQASBFIVME-UHFFFAOYSA-N
MW353.49 g/mol
LogP0.70
Rot. Bonds8

About 3-(4-methylpiperazin-1-yl)sulfonyl-N-(3-phenylpropyl)propanamide

3-(4-methylpiperazin-1-yl)sulfonyl-N-(3-phenylpropyl)propanamide (PubChem CID 110343189) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)sulfonyl-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)sulfonyl-N-(3-phenylpropyl)propanamide
PubChem CID110343189
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name3-(4-methylpiperazin-1-yl)sulfonyl-N-(3-phenylpropyl)propanamide
SMILESCN1CCN(S(=O)(=O)CCC(=O)NCCCc2ccccc2)CC1
InChIInChI=1S/C17H27N3O3S/c1-19-11-13-20(14-12-19)24(22,23)15-9-17(21)18-10-5-8-16-6-3-2-4-7-16/h2-4,6-7H,5,8-15H2,1H3,(H,18,21)
InChIKeyPLPSSQASBFIVME-UHFFFAOYSA-N
XLogP0.70
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-3-phenylpropanamide
CID 110345257
N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylpropanamide
CID 110342521
N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-2-phenylacetamide
CID 110345252
N-[2-(2-methoxyphenyl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide
CID 110343167
N-[3-(dimethylamino)propyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide
CID 110343157
N-[2-(azepan-1-ylsulfonyl)ethyl]-3-phenylpropanamide
CID 110346023
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-4-phenylbutanamide
CID 42175426
N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-4-phenylbutanamide
CID 42175850
3-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42440229
4-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]butanamide
CID 25285439
methyl 4-(2-phenylethylsulfonyl)piperazine-1-carboxylate
CID 110818523
1-ethylsulfonyl-4-(3-phenylpropylsulfonyl)piperazine
CID 110819016

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)sulfonyl-N-(3-phenylpropyl)propanamide?
The IUPAC name of 3-(4-methylpiperazin-1-yl)sulfonyl-N-(3-phenylpropyl)propanamide (CID 110343189) is 3-(4-methylpiperazin-1-yl)sulfonyl-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)sulfonyl-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)sulfonyl-N-(3-phenylpropyl)propanamide is CN1CCN(S(=O)(=O)CCC(=O)NCCCc2ccccc2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)sulfonyl-N-(3-phenylpropyl)propanamide?
The InChIKey is PLPSSQASBFIVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-19-11-13-20(14-12-19)24(22,23)15-9-17(21)18-10-5-8-16-6-3-2-4-7-16/h2-4,6-7H,5,8-15H2,1H3,(H,18,21).
What are the key properties of 3-(4-methylpiperazin-1-yl)sulfonyl-N-(3-phenylpropyl)propanamide?
3-(4-methylpiperazin-1-yl)sulfonyl-N-(3-phenylpropyl)propanamide has a molecular weight of 353.49 g/mol, XLogP of 0.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)sulfonyl-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 110343189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).