N-(furan-2-ylmethyl)-2-[2-(4-methoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide

C14H15N3O6S — CID 9185408

IUPACN-(furan-2-ylmethyl)-2-[2-(4-methoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide
SMILESCOc1ccc(S(=O)(=O)NNC(=O)C(=O)NCc2ccco2)cc1
InChIInChI=1S/C14H15N3O6S/c1-22-10-4-6-12(7-5-10)24(20,21)17-16-14(19)13(18)15-9-11-3-2-8-23-11/h2-8,17H,9H2,1H3,(H,15,18)(H,16,19)
InChIKeyICXYUXDPCNPIBL-UHFFFAOYSA-N
MW353.36 g/mol
LogP-0.09
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[2-(4-methoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide

N-(furan-2-ylmethyl)-2-[2-(4-methoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide (PubChem CID 9185408) has the molecular formula C14H15N3O6S and a molecular weight of 353.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[2-(4-methoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[2-(4-methoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide
PubChem CID9185408
Molecular FormulaC14H15N3O6S
Molecular Weight353.36 g/mol
Exact Mass353.07
IUPAC NameN-(furan-2-ylmethyl)-2-[2-(4-methoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide
SMILESCOc1ccc(S(=O)(=O)NNC(=O)C(=O)NCc2ccco2)cc1
InChIInChI=1S/C14H15N3O6S/c1-22-10-4-6-12(7-5-10)24(20,21)17-16-14(19)13(18)15-9-11-3-2-8-23-11/h2-8,17H,9H2,1H3,(H,15,18)(H,16,19)
InChIKeyICXYUXDPCNPIBL-UHFFFAOYSA-N
XLogP-0.09
TPSA126.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 5-0.09
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

N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-2-oxoacetamide
CID 94272659
N'-(furan-2-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
CID 108517692
N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylpentanamide
CID 42703821
N-(furan-2-ylmethyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 126384368
N'-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)oxamide
CID 2247281
N-(furan-2-ylmethyl)-N'-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]oxamide
CID 124878229
N-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide
CID 69381406
N'-(furan-2-ylmethyl)-N-[[(2S)-3-(4-methoxyphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 42427992
4-(furan-2-ylmethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 24547189
1-ethyl-3-[(4-methoxyphenyl)sulfonylamino]urea
CID 47425131
4-(furan-2-ylmethylsulfamoyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 55976163
N-(furan-2-ylmethyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 133255406

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[2-(4-methoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[2-(4-methoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide (CID 9185408) is N-(furan-2-ylmethyl)-2-[2-(4-methoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[2-(4-methoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[2-(4-methoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide is COc1ccc(S(=O)(=O)NNC(=O)C(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[2-(4-methoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide?
The InChIKey is ICXYUXDPCNPIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O6S/c1-22-10-4-6-12(7-5-10)24(20,21)17-16-14(19)13(18)15-9-11-3-2-8-23-11/h2-8,17H,9H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N-(furan-2-ylmethyl)-2-[2-(4-methoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide?
N-(furan-2-ylmethyl)-2-[2-(4-methoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide has a molecular weight of 353.36 g/mol, XLogP of -0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[2-(4-methoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide is sourced from PubChem (CID 9185408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).