N-[2-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide

C19H24N4O6S — CID 2426820

IUPACN-[2-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C(=O)NNC(=O)CNC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)c(C)o1
InChIInChI=1S/C19H24N4O6S/c1-11-5-6-15(7-12(11)2)30(27,28)21-10-17(24)20-9-18(25)22-23-19(26)16-8-13(3)29-14(16)4/h5-8,21H,9-10H2,1-4H3,(H,20,24)(H,22,25)(H,23,26)
InChIKeyGVTSNKLCVXBRAP-UHFFFAOYSA-N
MW436.49 g/mol
LogP0.37
Rot. Bonds7

About N-[2-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide

N-[2-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide (PubChem CID 2426820) has the molecular formula C19H24N4O6S and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[2-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[2-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
PubChem CID2426820
Molecular FormulaC19H24N4O6S
Molecular Weight436.49 g/mol
Exact Mass436.14
IUPAC NameN-[2-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C(=O)NNC(=O)CNC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)c(C)o1
InChIInChI=1S/C19H24N4O6S/c1-11-5-6-15(7-12(11)2)30(27,28)21-10-17(24)20-9-18(25)22-23-19(26)16-8-13(3)29-14(16)4/h5-8,21H,9-10H2,1-4H3,(H,20,24)(H,22,25)(H,23,26)
InChIKeyGVTSNKLCVXBRAP-UHFFFAOYSA-N
XLogP0.37
TPSA146.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 50.37
H-Bond Donors ≤ 54
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'-(3,4-dimethylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980796
[3-[[2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]-2,2-dimethylpropyl]-dimethylazanium
CID 9084119
2,5-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]furan-3-carboxamide
CID 33429076
2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(2-hydroxy-4-methylphenyl)acetamide
CID 7979655
2-[(3,4-dimethylphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110370277
2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(3-fluorophenyl)acetamide
CID 9412305
N-(3,4-dimethylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9039784
4-bromo-3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 31541890
N-[2-[2-[(3,4-dimethylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide
CID 108571279
2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]acetic acid
CID 119171670
2,5-dimethyl-N-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide
CID 56502731
4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 26895521

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[2-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide (CID 2426820) is N-[2-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[2-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[2-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide is Cc1cc(C(=O)NNC(=O)CNC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)c(C)o1.
What is the InChIKey of N-[2-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide?
The InChIKey is GVTSNKLCVXBRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O6S/c1-11-5-6-15(7-12(11)2)30(27,28)21-10-17(24)20-9-18(25)22-23-19(26)16-8-13(3)29-14(16)4/h5-8,21H,9-10H2,1-4H3,(H,20,24)(H,22,25)(H,23,26).
What are the key properties of N-[2-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide?
N-[2-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide has a molecular weight of 436.49 g/mol, XLogP of 0.37, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 2426820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).