N-[1-(3-acetamidophenyl)ethenyl]-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate

C21H19N4O4S2- — CID 2366530

IUPACN-[1-(3-acetamidophenyl)ethenyl]-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate
SMILESC=C(NN=C([O-])c1ccccc1NS(=O)(=O)c1cccs1)c1cccc(NC(C)=O)c1
InChIInChI=1S/C21H20N4O4S2/c1-14(16-7-5-8-17(13-16)22-15(2)26)23-24-21(27)18-9-3-4-10-19(18)25-31(28,29)20-11-6-12-30-20/h3-13,23,25H,1H2,2H3,(H,22,26)(H,24,27)/p-1
InChIKeyOATLZOCQKGJMLX-UHFFFAOYSA-M
MW455.54 g/mol
LogP2.79
Rot. Bonds8

About N-[1-(3-acetamidophenyl)ethenyl]-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate

N-[1-(3-acetamidophenyl)ethenyl]-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate (PubChem CID 2366530) has the molecular formula C21H19N4O4S2- and a molecular weight of 455.54 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethenyl]-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethenyl]-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate
PubChem CID2366530
Molecular FormulaC21H19N4O4S2-
Molecular Weight455.54 g/mol
Exact Mass455.09
IUPAC NameN-[1-(3-acetamidophenyl)ethenyl]-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate
SMILESC=C(NN=C([O-])c1ccccc1NS(=O)(=O)c1cccs1)c1cccc(NC(C)=O)c1
InChIInChI=1S/C21H20N4O4S2/c1-14(16-7-5-8-17(13-16)22-15(2)26)23-24-21(27)18-9-3-4-10-19(18)25-31(28,29)20-11-6-12-30-20/h3-13,23,25H,1H2,2H3,(H,22,26)(H,24,27)/p-1
InChIKeyOATLZOCQKGJMLX-UHFFFAOYSA-M
XLogP2.79
TPSA122.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-pyridin-4-ylethenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate
CID 2431556
N-[1-(1-benzofuran-2-yl)ethenyl]-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate
CID 2366514
N-[(E)-1-[3-(cyanomethoxy)phenyl]ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 172923751
2-(thiophen-2-ylsulfonylamino)benzamide
CID 769135
N-(2-ethyl-6-methylphenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate
CID 2336215
N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate
CID 2380509
(NZ)-N-(pyridin-4-ylmethylidene)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate
CID 6783266
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 135679012
methyl 2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoate
CID 108783728
N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786528
N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 7392702
2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoic acid
CID 104833093

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethenyl]-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate?
The IUPAC name of N-[1-(3-acetamidophenyl)ethenyl]-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate (CID 2366530) is N-[1-(3-acetamidophenyl)ethenyl]-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethenyl]-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethenyl]-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate is C=C(NN=C([O-])c1ccccc1NS(=O)(=O)c1cccs1)c1cccc(NC(C)=O)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethenyl]-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate?
The InChIKey is OATLZOCQKGJMLX-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H20N4O4S2/c1-14(16-7-5-8-17(13-16)22-15(2)26)23-24-21(27)18-9-3-4-10-19(18)25-31(28,29)20-11-6-12-30-20/h3-13,23,25H,1H2,2H3,(H,22,26)(H,24,27)/p-1.
What are the key properties of N-[1-(3-acetamidophenyl)ethenyl]-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate?
N-[1-(3-acetamidophenyl)ethenyl]-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate has a molecular weight of 455.54 g/mol, XLogP of 2.79, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethenyl]-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate is sourced from PubChem (CID 2366530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).