2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide

C14H16N4O5S — CID 9239952

IUPAC2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)NNS(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C14H16N4O5S/c1-8-4-6-11(7-5-8)15-13(19)14(20)16-18-24(21,22)12-9(2)17-23-10(12)3/h4-7,18H,1-3H3,(H,15,19)(H,16,20)
InChIKeyXMDBRHPWILDMRB-UHFFFAOYSA-N
MW352.37 g/mol
LogP0.55
Rot. Bonds4

About 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide

2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide (PubChem CID 9239952) has the molecular formula C14H16N4O5S and a molecular weight of 352.37 g/mol. Its IUPAC name is 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
PubChem CID9239952
Molecular FormulaC14H16N4O5S
Molecular Weight352.37 g/mol
Exact Mass352.08
IUPAC Name2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)NNS(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C14H16N4O5S/c1-8-4-6-11(7-5-8)15-13(19)14(20)16-18-24(21,22)12-9(2)17-23-10(12)3/h4-7,18H,1-3H3,(H,15,19)(H,16,20)
InChIKeyXMDBRHPWILDMRB-UHFFFAOYSA-N
XLogP0.55
TPSA130.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9042128
3,5-dimethyl-N-[4-(4-methylanilino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112986072
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate
CID 8629362
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate
CID 8737077
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110669909
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-4-methylbenzamide
CID 108570686
2-[2-(5-chlorothiophen-2-yl)sulfonylhydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
CID 9239780
2-[2-(3-chlorophenyl)sulfonylhydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
CID 9239659
methyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]amino]benzoate
CID 110295798
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide
CID 51274962
N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methoxyphenyl]acetamide
CID 31815213
(2S)-N-[4-(cyclopropylcarbamoylamino)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 37293945

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide?
The IUPAC name of 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide (CID 9239952) is 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide is Cc1ccc(NC(=O)C(=O)NNS(=O)(=O)c2c(C)noc2C)cc1.
What is the InChIKey of 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide?
The InChIKey is XMDBRHPWILDMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O5S/c1-8-4-6-11(7-5-8)15-13(19)14(20)16-18-24(21,22)12-9(2)17-23-10(12)3/h4-7,18H,1-3H3,(H,15,19)(H,16,20).
What are the key properties of 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide?
2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide has a molecular weight of 352.37 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 9239952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).