2-[2-methoxy-5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenoxy]acetamide

C16H18N4O5S — CID 4840746

IUPAC2-[2-methoxy-5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenoxy]acetamide
SMILESCOc1ccc(C=NNc2ccc(S(N)(=O)=O)cc2)cc1OCC(N)=O
InChIInChI=1S/C16H18N4O5S/c1-24-14-7-2-11(8-15(14)25-10-16(17)21)9-19-20-12-3-5-13(6-4-12)26(18,22)23/h2-9,20H,10H2,1H3,(H2,17,21)(H2,18,22,23)
InChIKeyRASWRPVBKBCNOI-UHFFFAOYSA-N
MW378.41 g/mol
LogP0.65
Rot. Bonds8

About 2-[2-methoxy-5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenoxy]acetamide

2-[2-methoxy-5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenoxy]acetamide (PubChem CID 4840746) has the molecular formula C16H18N4O5S and a molecular weight of 378.41 g/mol. Its IUPAC name is 2-[2-methoxy-5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-methoxy-5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenoxy]acetamide
PubChem CID4840746
Molecular FormulaC16H18N4O5S
Molecular Weight378.41 g/mol
Exact Mass378.10
IUPAC Name2-[2-methoxy-5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenoxy]acetamide
SMILESCOc1ccc(C=NNc2ccc(S(N)(=O)=O)cc2)cc1OCC(N)=O
InChIInChI=1S/C16H18N4O5S/c1-24-14-7-2-11(8-15(14)25-10-16(17)21)9-19-20-12-3-5-13(6-4-12)26(18,22)23/h2-9,20H,10H2,1H3,(H2,17,21)(H2,18,22,23)
InChIKeyRASWRPVBKBCNOI-UHFFFAOYSA-N
XLogP0.65
TPSA146.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methylideneamino]-4-chloro-3-sulfamoylbenzamide
CID 2558023
2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetamide
CID 57363037
4-[(2Z)-2-[(4-methoxy-3-propoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 9012910
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 9314320
4-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 50886734
4-[(2Z)-2-[[4-(2-amino-2-oxoethoxy)-3-iodo-5-methoxyphenyl]methylidene]hydrazinyl]benzoic acid
CID 6151354
2-[5-[(E)-[[2-(2-ethoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide
CID 42998044
N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide
CID 8990276
2-[5-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetic acid
CID 87800721
N-[(E)-(4-methoxy-3-propoxyphenyl)methylideneamino]-4-nitroaniline
CID 110506441
2-[2-methoxy-4-[(Z)-[(4-methoxyphenyl)carbamothioylhydrazinylidene]methyl]phenoxy]acetamide
CID 7933988
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-nitroaniline
CID 6131990

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenoxy]acetamide?
The IUPAC name of 2-[2-methoxy-5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenoxy]acetamide (CID 4840746) is 2-[2-methoxy-5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-methoxy-5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-methoxy-5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenoxy]acetamide is COc1ccc(C=NNc2ccc(S(N)(=O)=O)cc2)cc1OCC(N)=O.
What is the InChIKey of 2-[2-methoxy-5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenoxy]acetamide?
The InChIKey is RASWRPVBKBCNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O5S/c1-24-14-7-2-11(8-15(14)25-10-16(17)21)9-19-20-12-3-5-13(6-4-12)26(18,22)23/h2-9,20H,10H2,1H3,(H2,17,21)(H2,18,22,23).
What are the key properties of 2-[2-methoxy-5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenoxy]acetamide?
2-[2-methoxy-5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenoxy]acetamide has a molecular weight of 378.41 g/mol, XLogP of 0.65, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenoxy]acetamide is sourced from PubChem (CID 4840746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).