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

C22H30N4O3S — CID 42175324

IUPAC3-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCCCS(=O)(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C22H30N4O3S/c1-24(2)21-11-6-8-19(18-21)22(27)23-12-7-17-30(28,29)26-15-13-25(14-16-26)20-9-4-3-5-10-20/h3-6,8-11,18H,7,12-17H2,1-2H3,(H,23,27)
InChIKeyZKVIKLNQBZDWET-UHFFFAOYSA-N
MW430.57 g/mol
LogP2.02
Rot. Bonds8

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

3-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide (PubChem CID 42175324) has the molecular formula C22H30N4O3S and a molecular weight of 430.57 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
PubChem CID42175324
Molecular FormulaC22H30N4O3S
Molecular Weight430.57 g/mol
Exact Mass430.20
IUPAC Name3-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCCCS(=O)(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C22H30N4O3S/c1-24(2)21-11-6-8-19(18-21)22(27)23-12-7-17-30(28,29)26-15-13-25(14-16-26)20-9-4-3-5-10-20/h3-6,8-11,18H,7,12-17H2,1-2H3,(H,23,27)
InChIKeyZKVIKLNQBZDWET-UHFFFAOYSA-N
XLogP2.02
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 52.02
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-methoxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42175212
4-fluoro-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42175227
4-(diethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42175284
N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42175183
N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]-3-(trifluoromethyl)benzamide
CID 16801528
4-tert-butyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]benzamide
CID 42175781
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3,4-dimethylbenzamide
CID 42175355
2-naphthalen-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175277
3-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 25335787
4-[[3-(dimethylamino)benzoyl]amino]butanoic acid
CID 43089726
2-(4-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175274
2-oxo-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]-1H-pyridine-3-carboxamide
CID 42175326

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide (CID 42175324) is 3-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide is CN(C)c1cccc(C(=O)NCCCS(=O)(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 3-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide?
The InChIKey is ZKVIKLNQBZDWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3S/c1-24(2)21-11-6-8-19(18-21)22(27)23-12-7-17-30(28,29)26-15-13-25(14-16-26)20-9-4-3-5-10-20/h3-6,8-11,18H,7,12-17H2,1-2H3,(H,23,27).
What are the key properties of 3-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide?
3-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide has a molecular weight of 430.57 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide is sourced from PubChem (CID 42175324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).