N'-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide

C15H16N2O5S — CID 26980794

IUPACN'-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
SMILESCC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cc(C)oc2C)cc1
InChIInChI=1S/C15H16N2O5S/c1-9-8-14(11(3)22-9)15(19)16-17-23(20,21)13-6-4-12(5-7-13)10(2)18/h4-8,17H,1-3H3,(H,16,19)
InChIKeySPFMFLNIWDBJGZ-UHFFFAOYSA-N
MW336.37 g/mol
LogP1.72
Rot. Bonds5

About N'-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide

N'-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 26980794) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is N'-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
PubChem CID26980794
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC NameN'-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
SMILESCC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cc(C)oc2C)cc1
InChIInChI=1S/C15H16N2O5S/c1-9-8-14(11(3)22-9)15(19)16-17-23(20,21)13-6-4-12(5-7-13)10(2)18/h4-8,17H,1-3H3,(H,16,19)
InChIKeySPFMFLNIWDBJGZ-UHFFFAOYSA-N
XLogP1.72
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carboxamide
CID 86977698
N'-(4-fluorophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980783
N'-(4-tert-butylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980804
N'-(3,4-dimethylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980796
N'-(4-cyclohexylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980824
N-[(2R)-butan-2-yl]-4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 9468147
N'-[4-(difluoromethylsulfonyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 8502793
4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 26895521
2,5-dimethyl-N'-thiophen-2-ylsulfonylfuran-3-carbohydrazide
CID 26980778
2,5-dimethyl-N'-(2,3,4-trifluorophenyl)sulfonylfuran-3-carbohydrazide
CID 29424945
2,5-dimethyl-N'-(2-phenylphenyl)sulfonylfuran-3-carbohydrazide
CID 134040433
N'-(4-acetylphenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617244

Frequently Asked Questions

What is the IUPAC name of N'-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide (CID 26980794) is N'-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide is CC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cc(C)oc2C)cc1.
What is the InChIKey of N'-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is SPFMFLNIWDBJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-9-8-14(11(3)22-9)15(19)16-17-23(20,21)13-6-4-12(5-7-13)10(2)18/h4-8,17H,1-3H3,(H,16,19).
What are the key properties of N'-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide?
N'-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 336.37 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 26980794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).