3-methoxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide

C21H27N3O4S — CID 42175212

IUPAC3-methoxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
SMILESCOc1cccc(C(=O)NCCCS(=O)(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C21H27N3O4S/c1-28-20-10-5-7-18(17-20)21(25)22-11-6-16-29(26,27)24-14-12-23(13-15-24)19-8-3-2-4-9-19/h2-5,7-10,17H,6,11-16H2,1H3,(H,22,25)
InChIKeyZNZUUKUDYPJBPO-UHFFFAOYSA-N
MW417.53 g/mol
LogP1.97
Rot. Bonds8

About 3-methoxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide

3-methoxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide (PubChem CID 42175212) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 3-methoxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
PubChem CID42175212
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name3-methoxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
SMILESCOc1cccc(C(=O)NCCCS(=O)(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C21H27N3O4S/c1-28-20-10-5-7-18(17-20)21(25)22-11-6-16-29(26,27)24-14-12-23(13-15-24)19-8-3-2-4-9-19/h2-5,7-10,17H,6,11-16H2,1H3,(H,22,25)
InChIKeyZNZUUKUDYPJBPO-UHFFFAOYSA-N
XLogP1.97
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42175324
3-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 17226023
4-fluoro-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42175227
3-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide
CID 7601092
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3-methoxybenzamide
CID 10000302
N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42175183
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]-2-methylsulfanylbenzamide
CID 42175730
N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]-3-(trifluoromethyl)benzamide
CID 16801528
N-(3-benzylsulfonylpropyl)-3-methoxybenzamide
CID 86982137
4-(diethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42175284
N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-3-methoxybenzamide
CID 7601079
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide?
The IUPAC name of 3-methoxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide (CID 42175212) is 3-methoxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide?
The canonical SMILES for 3-methoxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide is COc1cccc(C(=O)NCCCS(=O)(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 3-methoxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide?
The InChIKey is ZNZUUKUDYPJBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-28-20-10-5-7-18(17-20)21(25)22-11-6-16-29(26,27)24-14-12-23(13-15-24)19-8-3-2-4-9-19/h2-5,7-10,17H,6,11-16H2,1H3,(H,22,25).
What are the key properties of 3-methoxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide?
3-methoxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide has a molecular weight of 417.53 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide is sourced from PubChem (CID 42175212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).