N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide

C13H17N3O6S — CID 8841330

IUPACN-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide
SMILESCOc1ccc(S(=O)(=O)NNC(=O)C(=O)NC2CC2)cc1OC
InChIInChI=1S/C13H17N3O6S/c1-21-10-6-5-9(7-11(10)22-2)23(19,20)16-15-13(18)12(17)14-8-3-4-8/h5-8,16H,3-4H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyFORZTHRNDWLJAX-UHFFFAOYSA-N
MW343.36 g/mol
LogP-0.71
Rot. Bonds6

About N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide

N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide (PubChem CID 8841330) has the molecular formula C13H17N3O6S and a molecular weight of 343.36 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide
PubChem CID8841330
Molecular FormulaC13H17N3O6S
Molecular Weight343.36 g/mol
Exact Mass343.08
IUPAC NameN-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide
SMILESCOc1ccc(S(=O)(=O)NNC(=O)C(=O)NC2CC2)cc1OC
InChIInChI=1S/C13H17N3O6S/c1-21-10-6-5-9(7-11(10)22-2)23(19,20)16-15-13(18)12(17)14-8-3-4-8/h5-8,16H,3-4H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyFORZTHRNDWLJAX-UHFFFAOYSA-N
XLogP-0.71
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 5-0.71
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-cyclopropyl-2-[2-(2,5-dimethoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide
CID 8841327
N-cyclopropyl-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide
CID 8841174
(2R)-N-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 7369499
[(3,4-dimethoxyphenyl)sulfonylamino]thiourea
CID 65214843
N-cyclopropyl-2-[2-(3,5-dichlorophenyl)sulfonylhydrazinyl]-2-oxoacetamide
CID 8841266
ethyl N-[(3,4-dimethoxyphenyl)sulfonylamino]carbamate
CID 26970116
3,4-dimethoxy-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545216
N-cyclopropyl-3-[(3,4-dimethoxyphenyl)sulfamoyl]benzamide
CID 109062347
N-(4-tert-butylcyclohexyl)-3,4-dimethoxybenzenesulfonamide
CID 22772433
N-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide
CID 3739924
3-chloro-N'-(3,4-dimethoxyphenyl)sulfonylbenzohydrazide
CID 8616663
1-(1,3-benzodioxol-5-yl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]urea
CID 17267012

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide?
The IUPAC name of N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide (CID 8841330) is N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide?
The canonical SMILES for N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide is COc1ccc(S(=O)(=O)NNC(=O)C(=O)NC2CC2)cc1OC.
What is the InChIKey of N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide?
The InChIKey is FORZTHRNDWLJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O6S/c1-21-10-6-5-9(7-11(10)22-2)23(19,20)16-15-13(18)12(17)14-8-3-4-8/h5-8,16H,3-4H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide?
N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide has a molecular weight of 343.36 g/mol, XLogP of -0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide is sourced from PubChem (CID 8841330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).