2-methyl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylfuran-3-carbohydrazide

C17H22N2O4S — CID 8615831

IUPAC2-methyl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C17H22N2O4S/c1-9-10(2)12(4)16(13(5)11(9)3)24(21,22)19-18-17(20)15-7-8-23-14(15)6/h7-8,19H,1-6H3,(H,18,20)
InChIKeyGHNBOHGFYPRZPG-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.75
Rot. Bonds4

About 2-methyl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylfuran-3-carbohydrazide

2-methyl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylfuran-3-carbohydrazide (PubChem CID 8615831) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-methyl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylfuran-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylfuran-3-carbohydrazide
PubChem CID8615831
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name2-methyl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C17H22N2O4S/c1-9-10(2)12(4)16(13(5)11(9)3)24(21,22)19-18-17(20)15-7-8-23-14(15)6/h7-8,19H,1-6H3,(H,18,20)
InChIKeyGHNBOHGFYPRZPG-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylfuran-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

2-methyl-N'-(4-nitrophenyl)sulfonylfuran-3-carbohydrazide
CID 807989
ethyl 4-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]benzoate
CID 8615778
1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide
CID 1011836
2-fluoro-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide
CID 8523929
4-bromo-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide
CID 26951559
N'-(2,5-dimethoxyphenyl)sulfonyl-2-methylfuran-3-carbohydrazide
CID 8615856
ethyl 5-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]-1H-pyrazole-4-carboxylate
CID 46510748
N-(benzenesulfonyl)-2-methylfuran-3-carboxamide
CID 47231856
N-iodo-2-methylfuran-3-carboxamide
CID 170236265
2-methyl-N'-[3-(trifluoromethoxy)phenyl]sulfonylfuran-3-carbohydrazide
CID 24662232
2-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylfuran-3-carbohydrazide
CID 8823087
1-[(4-fluorobenzoyl)amino]-3-[(2-methylfuran-3-carbonyl)amino]urea
CID 51113394

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylfuran-3-carbohydrazide?
The IUPAC name of 2-methyl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylfuran-3-carbohydrazide (CID 8615831) is 2-methyl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylfuran-3-carbohydrazide.
What is the SMILES notation for 2-methyl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylfuran-3-carbohydrazide?
The canonical SMILES for 2-methyl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylfuran-3-carbohydrazide is Cc1occc1C(=O)NNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of 2-methyl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylfuran-3-carbohydrazide?
The InChIKey is GHNBOHGFYPRZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-9-10(2)12(4)16(13(5)11(9)3)24(21,22)19-18-17(20)15-7-8-23-14(15)6/h7-8,19H,1-6H3,(H,18,20).
What are the key properties of 2-methyl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylfuran-3-carbohydrazide?
2-methyl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylfuran-3-carbohydrazide has a molecular weight of 350.44 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylfuran-3-carbohydrazide is sourced from PubChem (CID 8615831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).