N-(2-ethyl-6-methylphenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate

C20H19N2O3S2- — CID 2336215

IUPACN-(2-ethyl-6-methylphenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate
SMILESCCc1cccc(C)c1/N=C(\[O-])c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C20H20N2O3S2/c1-3-15-9-6-8-14(2)19(15)21-20(23)16-10-4-5-11-17(16)22-27(24,25)18-12-7-13-26-18/h4-13,22H,3H2,1-2H3,(H,21,23)/p-1
InChIKeyOPGCYCKENKNMBZ-UHFFFAOYSA-M
MW399.52 g/mol
LogP3.86
Rot. Bonds6

About N-(2-ethyl-6-methylphenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate

N-(2-ethyl-6-methylphenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate (PubChem CID 2336215) has the molecular formula C20H19N2O3S2- and a molecular weight of 399.52 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate
PubChem CID2336215
Molecular FormulaC20H19N2O3S2-
Molecular Weight399.52 g/mol
Exact Mass399.08
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate
SMILESCCc1cccc(C)c1/N=C(\[O-])c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C20H20N2O3S2/c1-3-15-9-6-8-14(2)19(15)21-20(23)16-10-4-5-11-17(16)22-27(24,25)18-12-7-13-26-18/h4-13,22H,3H2,1-2H3,(H,21,23)/p-1
InChIKeyOPGCYCKENKNMBZ-UHFFFAOYSA-M
XLogP3.86
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate
CID 2380509
N-[2-(ethylaminomethyl)phenyl]thiophene-2-sulfonamide
CID 43606461
2-(thiophen-2-ylsulfonylamino)benzamide
CID 769135
N-(1-pyridin-4-ylethenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate
CID 2431556
(NZ)-N-(pyridin-4-ylmethylidene)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate
CID 6783266
N-(2,6-dimethylphenyl)thiophene-2-sulfonamide
CID 765837
methyl 2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoate
CID 108783728
butyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 18157559
2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoic acid
CID 104833093
N-[1-(3-acetamidophenyl)ethenyl]-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate
CID 2366530
diethyl 2-[[2-(thiophen-2-ylsulfonylamino)anilino]methylidene]propanedioate
CID 2322174
2-methyl-6-(thiophen-2-ylsulfonylamino)benzenediazonium
CID 101027310

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate (CID 2336215) is N-(2-ethyl-6-methylphenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate is CCc1cccc(C)c1/N=C(\[O-])c1ccccc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate?
The InChIKey is OPGCYCKENKNMBZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H20N2O3S2/c1-3-15-9-6-8-14(2)19(15)21-20(23)16-10-4-5-11-17(16)22-27(24,25)18-12-7-13-26-18/h4-13,22H,3H2,1-2H3,(H,21,23)/p-1.
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate?
N-(2-ethyl-6-methylphenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate has a molecular weight of 399.52 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate is sourced from PubChem (CID 2336215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).