N-(2-methoxyphenyl)-2-(2-naphthalen-2-ylsulfonylhydrazinyl)-2-oxoacetamide

C19H17N3O5S — CID 3136221

IUPACN-(2-methoxyphenyl)-2-(2-naphthalen-2-ylsulfonylhydrazinyl)-2-oxoacetamide
SMILESCOc1ccccc1NC(=O)C(=O)NNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H17N3O5S/c1-27-17-9-5-4-8-16(17)20-18(23)19(24)21-22-28(25,26)15-11-10-13-6-2-3-7-14(13)12-15/h2-12,22H,1H3,(H,20,23)(H,21,24)
InChIKeyAVQUNLVLWJVBCJ-UHFFFAOYSA-N
MW399.43 g/mol
LogP1.80
Rot. Bonds5

About N-(2-methoxyphenyl)-2-(2-naphthalen-2-ylsulfonylhydrazinyl)-2-oxoacetamide

N-(2-methoxyphenyl)-2-(2-naphthalen-2-ylsulfonylhydrazinyl)-2-oxoacetamide (PubChem CID 3136221) has the molecular formula C19H17N3O5S and a molecular weight of 399.43 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(2-naphthalen-2-ylsulfonylhydrazinyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(2-naphthalen-2-ylsulfonylhydrazinyl)-2-oxoacetamide
PubChem CID3136221
Molecular FormulaC19H17N3O5S
Molecular Weight399.43 g/mol
Exact Mass399.09
IUPAC NameN-(2-methoxyphenyl)-2-(2-naphthalen-2-ylsulfonylhydrazinyl)-2-oxoacetamide
SMILESCOc1ccccc1NC(=O)C(=O)NNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H17N3O5S/c1-27-17-9-5-4-8-16(17)20-18(23)19(24)21-22-28(25,26)15-11-10-13-6-2-3-7-14(13)12-15/h2-12,22H,1H3,(H,20,23)(H,21,24)
InChIKeyAVQUNLVLWJVBCJ-UHFFFAOYSA-N
XLogP1.80
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(2-naphthalen-2-ylsulfonylhydrazinyl)-2-oxoacetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(2-naphthalen-2-ylsulfonylhydrazinyl)-2-oxoacetamide (CID 3136221) is N-(2-methoxyphenyl)-2-(2-naphthalen-2-ylsulfonylhydrazinyl)-2-oxoacetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(2-naphthalen-2-ylsulfonylhydrazinyl)-2-oxoacetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(2-naphthalen-2-ylsulfonylhydrazinyl)-2-oxoacetamide is COc1ccccc1NC(=O)C(=O)NNS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-methoxyphenyl)-2-(2-naphthalen-2-ylsulfonylhydrazinyl)-2-oxoacetamide?
The InChIKey is AVQUNLVLWJVBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5S/c1-27-17-9-5-4-8-16(17)20-18(23)19(24)21-22-28(25,26)15-11-10-13-6-2-3-7-14(13)12-15/h2-12,22H,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(2-methoxyphenyl)-2-(2-naphthalen-2-ylsulfonylhydrazinyl)-2-oxoacetamide?
N-(2-methoxyphenyl)-2-(2-naphthalen-2-ylsulfonylhydrazinyl)-2-oxoacetamide has a molecular weight of 399.43 g/mol, XLogP of 1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(2-naphthalen-2-ylsulfonylhydrazinyl)-2-oxoacetamide is sourced from PubChem (CID 3136221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).