N-[(E)-pyridin-4-ylmethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide

C17H14N4O3S2 — CID 6908136

IUPACN-[(E)-pyridin-4-ylmethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(N/N=C/c1ccncc1)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C17H14N4O3S2/c22-17(20-19-12-13-7-9-18-10-8-13)14-4-1-2-5-15(14)21-26(23,24)16-6-3-11-25-16/h1-12,21H,(H,20,22)/b19-12+
InChIKeyGUXQDZBFMYGDHV-XDHOZWIPSA-N
MW386.46 g/mol
LogP2.71
Rot. Bonds6

About N-[(E)-pyridin-4-ylmethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide

N-[(E)-pyridin-4-ylmethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 6908136) has the molecular formula C17H14N4O3S2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[(E)-pyridin-4-ylmethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(E)-pyridin-4-ylmethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID6908136
Molecular FormulaC17H14N4O3S2
Molecular Weight386.46 g/mol
Exact Mass386.05
IUPAC NameN-[(E)-pyridin-4-ylmethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(N/N=C/c1ccncc1)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C17H14N4O3S2/c22-17(20-19-12-13-7-9-18-10-8-13)14-4-1-2-5-15(14)21-26(23,24)16-6-3-11-25-16/h1-12,21H,(H,20,22)/b19-12+
InChIKeyGUXQDZBFMYGDHV-XDHOZWIPSA-N
XLogP2.71
TPSA100.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(4-methylsulfanylphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2594546
N-[(Z)-(3-methylphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6300716
(NZ)-N-(pyridin-4-ylmethylidene)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate
CID 6783266
N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6305629
N-(cinnamylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide
CID 4537987
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2118005
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 136919028
2-(thiophen-2-ylsulfonylamino)benzamide
CID 769135
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2594386
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6908128
N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2402957
N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6893110

Frequently Asked Questions

What is the IUPAC name of N-[(E)-pyridin-4-ylmethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[(E)-pyridin-4-ylmethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide (CID 6908136) is N-[(E)-pyridin-4-ylmethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[(E)-pyridin-4-ylmethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[(E)-pyridin-4-ylmethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide is O=C(N/N=C/c1ccncc1)c1ccccc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-[(E)-pyridin-4-ylmethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is GUXQDZBFMYGDHV-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H14N4O3S2/c22-17(20-19-12-13-7-9-18-10-8-13)14-4-1-2-5-15(14)21-26(23,24)16-6-3-11-25-16/h1-12,21H,(H,20,22)/b19-12+.
What are the key properties of N-[(E)-pyridin-4-ylmethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
N-[(E)-pyridin-4-ylmethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 386.46 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pyridin-4-ylmethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 6908136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).