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

C17H22N2O4S — CID 26980804

IUPACN'-(4-tert-butylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNS(=O)(=O)c2ccc(C(C)(C)C)cc2)c(C)o1
InChIInChI=1S/C17H22N2O4S/c1-11-10-15(12(2)23-11)16(20)18-19-24(21,22)14-8-6-13(7-9-14)17(3,4)5/h6-10,19H,1-5H3,(H,18,20)
InChIKeyIACNGDZONAIRER-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.82
Rot. Bonds4

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

N'-(4-tert-butylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 26980804) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is N'-(4-tert-butylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-tert-butylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
PubChem CID26980804
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC NameN'-(4-tert-butylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNS(=O)(=O)c2ccc(C(C)(C)C)cc2)c(C)o1
InChIInChI=1S/C17H22N2O4S/c1-11-10-15(12(2)23-11)16(20)18-19-24(21,22)14-8-6-13(7-9-14)17(3,4)5/h6-10,19H,1-5H3,(H,18,20)
InChIKeyIACNGDZONAIRER-UHFFFAOYSA-N
XLogP2.82
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-fluorophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980783
N'-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980794
N'-(3,4-dimethylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980796
N'-(4-cyclohexylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980824
2,5-dimethyl-N'-thiophen-2-ylsulfonylfuran-3-carbohydrazide
CID 26980778
4-tert-butyl-N'-(4-methylphenyl)sulfonylbenzohydrazide
CID 923515
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'-(2,5-dichlorothiophen-3-yl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 39769818
N-[(2R)-butan-2-yl]-4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 9468147
N'-(2,3-dimethyl-5-nitrophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26487286
N'-[4-(difluoromethylsulfonyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 8502793

Frequently Asked Questions

What is the IUPAC name of N'-(4-tert-butylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-(4-tert-butylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide (CID 26980804) is N'-(4-tert-butylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-(4-tert-butylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-(4-tert-butylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide is Cc1cc(C(=O)NNS(=O)(=O)c2ccc(C(C)(C)C)cc2)c(C)o1.
What is the InChIKey of N'-(4-tert-butylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is IACNGDZONAIRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-11-10-15(12(2)23-11)16(20)18-19-24(21,22)14-8-6-13(7-9-14)17(3,4)5/h6-10,19H,1-5H3,(H,18,20).
What are the key properties of N'-(4-tert-butylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide?
N'-(4-tert-butylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 350.44 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-tert-butylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 26980804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).