N-[1-[3-[(4-ethoxyphenyl)sulfonylamino]quinoxalin-2-yl]-4-pyridinylidene]-2-methylbenzamide

C29H25N5O4S — CID 3493986

IUPACN-[1-[3-[(4-ethoxyphenyl)sulfonylamino]quinoxalin-2-yl]-4-pyridinylidene]-2-methylbenzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2-n2ccc(=NC(=O)c3ccccc3C)cc2)cc1
InChIInChI=1S/C29H25N5O4S/c1-3-38-22-12-14-23(15-13-22)39(36,37)33-27-28(32-26-11-7-6-10-25(26)31-27)34-18-16-21(17-19-34)30-29(35)24-9-5-4-8-20(24)2/h4-19H,3H2,1-2H3,(H,31,33)
InChIKeyNEBIPZDPJZBUOW-UHFFFAOYSA-N
MW539.62 g/mol
LogP4.67
Rot. Bonds7

About N-[1-[3-[(4-ethoxyphenyl)sulfonylamino]quinoxalin-2-yl]-4-pyridinylidene]-2-methylbenzamide

N-[1-[3-[(4-ethoxyphenyl)sulfonylamino]quinoxalin-2-yl]-4-pyridinylidene]-2-methylbenzamide (PubChem CID 3493986) has the molecular formula C29H25N5O4S and a molecular weight of 539.62 g/mol. Its IUPAC name is N-[1-[3-[(4-ethoxyphenyl)sulfonylamino]quinoxalin-2-yl]-4-pyridinylidene]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[3-[(4-ethoxyphenyl)sulfonylamino]quinoxalin-2-yl]-4-pyridinylidene]-2-methylbenzamide
PubChem CID3493986
Molecular FormulaC29H25N5O4S
Molecular Weight539.62 g/mol
Exact Mass539.16
IUPAC NameN-[1-[3-[(4-ethoxyphenyl)sulfonylamino]quinoxalin-2-yl]-4-pyridinylidene]-2-methylbenzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2-n2ccc(=NC(=O)c3ccccc3C)cc2)cc1
InChIInChI=1S/C29H25N5O4S/c1-3-38-22-12-14-23(15-13-22)39(36,37)33-27-28(32-26-11-7-6-10-25(26)31-27)34-18-16-21(17-19-34)30-29(35)24-9-5-4-8-20(24)2/h4-19H,3H2,1-2H3,(H,31,33)
InChIKeyNEBIPZDPJZBUOW-UHFFFAOYSA-N
XLogP4.67
TPSA115.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.62
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[3-[(4-ethoxyphenyl)sulfonylamino]quinoxalin-2-yl]-4-pyridinylidene]-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[(4-ethoxyphenyl)sulfonylamino]quinoxalin-2-yl]-4-pyridinylidene]-2-methylbenzamide?
The IUPAC name of N-[1-[3-[(4-ethoxyphenyl)sulfonylamino]quinoxalin-2-yl]-4-pyridinylidene]-2-methylbenzamide (CID 3493986) is N-[1-[3-[(4-ethoxyphenyl)sulfonylamino]quinoxalin-2-yl]-4-pyridinylidene]-2-methylbenzamide.
What is the SMILES notation for N-[1-[3-[(4-ethoxyphenyl)sulfonylamino]quinoxalin-2-yl]-4-pyridinylidene]-2-methylbenzamide?
The canonical SMILES for N-[1-[3-[(4-ethoxyphenyl)sulfonylamino]quinoxalin-2-yl]-4-pyridinylidene]-2-methylbenzamide is CCOc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2-n2ccc(=NC(=O)c3ccccc3C)cc2)cc1.
What is the InChIKey of N-[1-[3-[(4-ethoxyphenyl)sulfonylamino]quinoxalin-2-yl]-4-pyridinylidene]-2-methylbenzamide?
The InChIKey is NEBIPZDPJZBUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O4S/c1-3-38-22-12-14-23(15-13-22)39(36,37)33-27-28(32-26-11-7-6-10-25(26)31-27)34-18-16-21(17-19-34)30-29(35)24-9-5-4-8-20(24)2/h4-19H,3H2,1-2H3,(H,31,33).
What are the key properties of N-[1-[3-[(4-ethoxyphenyl)sulfonylamino]quinoxalin-2-yl]-4-pyridinylidene]-2-methylbenzamide?
N-[1-[3-[(4-ethoxyphenyl)sulfonylamino]quinoxalin-2-yl]-4-pyridinylidene]-2-methylbenzamide has a molecular weight of 539.62 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[(4-ethoxyphenyl)sulfonylamino]quinoxalin-2-yl]-4-pyridinylidene]-2-methylbenzamide is sourced from PubChem (CID 3493986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).