2-methoxy-N-[2-[3-[(2-methoxy-5-pyridin-3-ylphenyl)sulfonylamino]anilino]ethyl]benzamide

C28H28N4O5S — CID 122191827

IUPAC2-methoxy-N-[2-[3-[(2-methoxy-5-pyridin-3-ylphenyl)sulfonylamino]anilino]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCNc1cccc(NS(=O)(=O)c2cc(-c3cccnc3)ccc2OC)c1
InChIInChI=1S/C28H28N4O5S/c1-36-25-11-4-3-10-24(25)28(33)31-16-15-30-22-8-5-9-23(18-22)32-38(34,35)27-17-20(12-13-26(27)37-2)21-7-6-14-29-19-21/h3-14,17-19,30,32H,15-16H2,1-2H3,(H,31,33)
InChIKeyMLEYFDJNWQGHCP-UHFFFAOYSA-N
MW532.62 g/mol
LogP4.41
Rot. Bonds11

About 2-methoxy-N-[2-[3-[(2-methoxy-5-pyridin-3-ylphenyl)sulfonylamino]anilino]ethyl]benzamide

2-methoxy-N-[2-[3-[(2-methoxy-5-pyridin-3-ylphenyl)sulfonylamino]anilino]ethyl]benzamide (PubChem CID 122191827) has the molecular formula C28H28N4O5S and a molecular weight of 532.62 g/mol. Its IUPAC name is 2-methoxy-N-[2-[3-[(2-methoxy-5-pyridin-3-ylphenyl)sulfonylamino]anilino]ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[3-[(2-methoxy-5-pyridin-3-ylphenyl)sulfonylamino]anilino]ethyl]benzamide
PubChem CID122191827
Molecular FormulaC28H28N4O5S
Molecular Weight532.62 g/mol
Exact Mass532.18
IUPAC Name2-methoxy-N-[2-[3-[(2-methoxy-5-pyridin-3-ylphenyl)sulfonylamino]anilino]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCNc1cccc(NS(=O)(=O)c2cc(-c3cccnc3)ccc2OC)c1
InChIInChI=1S/C28H28N4O5S/c1-36-25-11-4-3-10-24(25)28(33)31-16-15-30-22-8-5-9-23(18-22)32-38(34,35)27-17-20(12-13-26(27)37-2)21-7-6-14-29-19-21/h3-14,17-19,30,32H,15-16H2,1-2H3,(H,31,33)
InChIKeyMLEYFDJNWQGHCP-UHFFFAOYSA-N
XLogP4.41
TPSA118.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.62
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-[[2-methoxy-5-[3-[methyl(pyridin-3-ylmethyl)carbamoyl]phenyl]phenyl]sulfonylamino]anilino]ethyl]-3-methylbenzamide
CID 166633833
3-[[2-Methoxy-5-[3-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]sulfonylamino]-3-phenylpropanoic acid
CID 22092805
3-[[2-Methoxy-5-[3-(pyridin-3-ylmethylcarbamoylamino)phenyl]phenyl]sulfonylamino]-3-phenylpropanoic acid
CID 22092806
2-methoxy-N-[2-[3-[[2-methoxy-5-(3-methoxyphenyl)phenyl]sulfonylamino]anilino]ethyl]benzamide
CID 122191820
2-methoxy-N-[2-[3-[[2-methoxy-5-[3-(methylcarbamoyl)phenyl]phenyl]sulfonylamino]anilino]ethyl]benzamide
CID 122191822
4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 2486297
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(2-pyridin-2-ylethyl)benzamide
CID 2595507
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 2620960
2-Ethoxy-N-(4-{[2-(pyridin-3-YL)piperidin-1-YL]sulfonyl}phenyl)benzamide
CID 3622154
3-[(4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 9414554
3-[(4-methoxyphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 24979468
3-[[2-Methoxy-5-[3-(pyridin-2-ylmethylcarbamoylamino)phenyl]phenyl]sulfonylamino]-3-phenylpropanoic acid
CID 44305804

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[3-[(2-methoxy-5-pyridin-3-ylphenyl)sulfonylamino]anilino]ethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-[3-[(2-methoxy-5-pyridin-3-ylphenyl)sulfonylamino]anilino]ethyl]benzamide (CID 122191827) is 2-methoxy-N-[2-[3-[(2-methoxy-5-pyridin-3-ylphenyl)sulfonylamino]anilino]ethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-[3-[(2-methoxy-5-pyridin-3-ylphenyl)sulfonylamino]anilino]ethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-[3-[(2-methoxy-5-pyridin-3-ylphenyl)sulfonylamino]anilino]ethyl]benzamide is COc1ccccc1C(=O)NCCNc1cccc(NS(=O)(=O)c2cc(-c3cccnc3)ccc2OC)c1.
What is the InChIKey of 2-methoxy-N-[2-[3-[(2-methoxy-5-pyridin-3-ylphenyl)sulfonylamino]anilino]ethyl]benzamide?
The InChIKey is MLEYFDJNWQGHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O5S/c1-36-25-11-4-3-10-24(25)28(33)31-16-15-30-22-8-5-9-23(18-22)32-38(34,35)27-17-20(12-13-26(27)37-2)21-7-6-14-29-19-21/h3-14,17-19,30,32H,15-16H2,1-2H3,(H,31,33).
What are the key properties of 2-methoxy-N-[2-[3-[(2-methoxy-5-pyridin-3-ylphenyl)sulfonylamino]anilino]ethyl]benzamide?
2-methoxy-N-[2-[3-[(2-methoxy-5-pyridin-3-ylphenyl)sulfonylamino]anilino]ethyl]benzamide has a molecular weight of 532.62 g/mol, XLogP of 4.41, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[3-[(2-methoxy-5-pyridin-3-ylphenyl)sulfonylamino]anilino]ethyl]benzamide is sourced from PubChem (CID 122191827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).