N-[4-[(2-ethoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide

C18H22N4O5S — CID 50889321

IUPACN-[4-[(2-ethoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
SMILESCCOc1ccccc1N(CC(=O)NN)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H22N4O5S/c1-3-27-17-7-5-4-6-16(17)22(12-18(24)21-19)28(25,26)15-10-8-14(9-11-15)20-13(2)23/h4-11H,3,12,19H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyLQOVODLGKSSIEE-UHFFFAOYSA-N
MW406.46 g/mol
LogP1.23
Rot. Bonds8

About N-[4-[(2-ethoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide

N-[4-[(2-ethoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide (PubChem CID 50889321) has the molecular formula C18H22N4O5S and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[4-[(2-ethoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-ethoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
PubChem CID50889321
Molecular FormulaC18H22N4O5S
Molecular Weight406.46 g/mol
Exact Mass406.13
IUPAC NameN-[4-[(2-ethoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
SMILESCCOc1ccccc1N(CC(=O)NN)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H22N4O5S/c1-3-27-17-7-5-4-6-16(17)22(12-18(24)21-19)28(25,26)15-10-8-14(9-11-15)20-13(2)23/h4-11H,3,12,19H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyLQOVODLGKSSIEE-UHFFFAOYSA-N
XLogP1.23
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-methylphenyl)acetamide
CID 1364387
N-[1-(4-acetamidophenyl)ethylideneamino]-2-[N-(benzenesulfonyl)-2-ethoxyanilino]acetamide
CID 3594656
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-phenoxyphenyl)acetamide
CID 51345277
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 126190753
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 53280106
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide
CID 30171565
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(3,5-dimethylphenyl)acetamide
CID 51345275
N-[4-[(2,6-dimethylphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
CID 50889431
N-[4-[(5-chloro-2-methoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
CID 50889666
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100500650
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]acetamide
CID 126173663
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]acetamide
CID 126183320

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-ethoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2-ethoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide (CID 50889321) is N-[4-[(2-ethoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-ethoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-ethoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide is CCOc1ccccc1N(CC(=O)NN)S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[(2-ethoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide?
The InChIKey is LQOVODLGKSSIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5S/c1-3-27-17-7-5-4-6-16(17)22(12-18(24)21-19)28(25,26)15-10-8-14(9-11-15)20-13(2)23/h4-11H,3,12,19H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-[4-[(2-ethoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide?
N-[4-[(2-ethoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide has a molecular weight of 406.46 g/mol, XLogP of 1.23, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-ethoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 50889321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).