4-(4-benzylpiperazin-1-yl)sulfonyl-N'-[3-(furan-2-yl)propanoyl]benzohydrazide

C25H28N4O5S — CID 24515155

IUPAC4-(4-benzylpiperazin-1-yl)sulfonyl-N'-[3-(furan-2-yl)propanoyl]benzohydrazide
SMILESO=C(CCc1ccco1)NNC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C25H28N4O5S/c30-24(13-10-22-7-4-18-34-22)26-27-25(31)21-8-11-23(12-9-21)35(32,33)29-16-14-28(15-17-29)19-20-5-2-1-3-6-20/h1-9,11-12,18H,10,13-17,19H2,(H,26,30)(H,27,31)
InChIKeyJQBWXPOPYZPDJZ-UHFFFAOYSA-N
MW496.59 g/mol
LogP2.18
Rot. Bonds8

About 4-(4-benzylpiperazin-1-yl)sulfonyl-N'-[3-(furan-2-yl)propanoyl]benzohydrazide

4-(4-benzylpiperazin-1-yl)sulfonyl-N'-[3-(furan-2-yl)propanoyl]benzohydrazide (PubChem CID 24515155) has the molecular formula C25H28N4O5S and a molecular weight of 496.59 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)sulfonyl-N'-[3-(furan-2-yl)propanoyl]benzohydrazide.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)sulfonyl-N'-[3-(furan-2-yl)propanoyl]benzohydrazide
PubChem CID24515155
Molecular FormulaC25H28N4O5S
Molecular Weight496.59 g/mol
Exact Mass496.18
IUPAC Name4-(4-benzylpiperazin-1-yl)sulfonyl-N'-[3-(furan-2-yl)propanoyl]benzohydrazide
SMILESO=C(CCc1ccco1)NNC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C25H28N4O5S/c30-24(13-10-22-7-4-18-34-22)26-27-25(31)21-8-11-23(12-9-21)35(32,33)29-16-14-28(15-17-29)19-20-5-2-1-3-6-20/h1-9,11-12,18H,10,13-17,19H2,(H,26,30)(H,27,31)
InChIKeyJQBWXPOPYZPDJZ-UHFFFAOYSA-N
XLogP2.18
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-oxo-3-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propyl]furan-2-carboxamide
CID 27685933
N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide
CID 9414906
4-(4-benzylpiperazin-1-yl)sulfonyl-N-prop-2-enylbenzamide
CID 109058451
4-[(4-benzyl-1,4-diazepan-1-yl)sulfonyl]benzoic acid
CID 120613639
[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 43922265
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-propan-2-ylbenzamide
CID 43918409
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 55634091
4-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-N-phenylbenzamide
CID 71902996
4-(4-formylpiperazin-1-yl)sulfonyl-N-(furan-2-ylmethyl)benzamide
CID 19258176
1-(4-bromophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine
CID 6466955
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 100565556
1-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane
CID 1167101

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)sulfonyl-N'-[3-(furan-2-yl)propanoyl]benzohydrazide?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)sulfonyl-N'-[3-(furan-2-yl)propanoyl]benzohydrazide (CID 24515155) is 4-(4-benzylpiperazin-1-yl)sulfonyl-N'-[3-(furan-2-yl)propanoyl]benzohydrazide.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)sulfonyl-N'-[3-(furan-2-yl)propanoyl]benzohydrazide?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)sulfonyl-N'-[3-(furan-2-yl)propanoyl]benzohydrazide is O=C(CCc1ccco1)NNC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)sulfonyl-N'-[3-(furan-2-yl)propanoyl]benzohydrazide?
The InChIKey is JQBWXPOPYZPDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5S/c30-24(13-10-22-7-4-18-34-22)26-27-25(31)21-8-11-23(12-9-21)35(32,33)29-16-14-28(15-17-29)19-20-5-2-1-3-6-20/h1-9,11-12,18H,10,13-17,19H2,(H,26,30)(H,27,31).
What are the key properties of 4-(4-benzylpiperazin-1-yl)sulfonyl-N'-[3-(furan-2-yl)propanoyl]benzohydrazide?
4-(4-benzylpiperazin-1-yl)sulfonyl-N'-[3-(furan-2-yl)propanoyl]benzohydrazide has a molecular weight of 496.59 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)sulfonyl-N'-[3-(furan-2-yl)propanoyl]benzohydrazide is sourced from PubChem (CID 24515155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).