N'-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]furan-2-carbohydrazide

C19H24N4O5S — CID 8694149

IUPACN'-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]furan-2-carbohydrazide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccco3)CC2)c1
InChIInChI=1S/C19H24N4O5S/c1-14-5-6-15(2)17(12-14)29(26,27)23-9-7-22(8-10-23)13-18(24)20-21-19(25)16-4-3-11-28-16/h3-6,11-12H,7-10,13H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyWDMUUVWEYWFWKV-UHFFFAOYSA-N
MW420.49 g/mol
LogP0.66
Rot. Bonds5

About N'-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]furan-2-carbohydrazide

N'-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]furan-2-carbohydrazide (PubChem CID 8694149) has the molecular formula C19H24N4O5S and a molecular weight of 420.49 g/mol. Its IUPAC name is N'-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]furan-2-carbohydrazide
PubChem CID8694149
Molecular FormulaC19H24N4O5S
Molecular Weight420.49 g/mol
Exact Mass420.15
IUPAC NameN'-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]furan-2-carbohydrazide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccco3)CC2)c1
InChIInChI=1S/C19H24N4O5S/c1-14-5-6-15(2)17(12-14)29(26,27)23-9-7-22(8-10-23)13-18(24)20-21-19(25)16-4-3-11-28-16/h3-6,11-12H,7-10,13H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyWDMUUVWEYWFWKV-UHFFFAOYSA-N
XLogP0.66
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 50.66
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-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide
CID 108559603
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide
CID 36849344
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 8694377
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8744706
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 2655732
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]furan-2-carboxamide
CID 3592992
N'-[2-(4-phenylpiperazin-1-yl)acetyl]furan-2-carbohydrazide
CID 40533310
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 8744306
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2655698
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 71903899
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 2088389
4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide
CID 27650062

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]furan-2-carbohydrazide (CID 8694149) is N'-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]furan-2-carbohydrazide is Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccco3)CC2)c1.
What is the InChIKey of N'-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]furan-2-carbohydrazide?
The InChIKey is WDMUUVWEYWFWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5S/c1-14-5-6-15(2)17(12-14)29(26,27)23-9-7-22(8-10-23)13-18(24)20-21-19(25)16-4-3-11-28-16/h3-6,11-12H,7-10,13H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of N'-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]furan-2-carbohydrazide?
N'-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]furan-2-carbohydrazide has a molecular weight of 420.49 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]furan-2-carbohydrazide is sourced from PubChem (CID 8694149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).