N-[1-[3-(2-methoxyethylsulfamoyl)phenyl]ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide

C21H23N5O6S3 — CID 171140629

IUPACN-[1-[3-(2-methoxyethylsulfamoyl)phenyl]ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide
SMILESCOCCNS(=O)(=O)c1cccc(C(C)=NNC(=O)c2ccncc2NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C21H23N5O6S3/c1-15(16-5-3-6-17(13-16)34(28,29)23-10-11-32-2)24-25-21(27)18-8-9-22-14-19(18)26-35(30,31)20-7-4-12-33-20/h3-9,12-14,23,26H,10-11H2,1-2H3,(H,25,27)
InChIKeyXVVPGARKTNFKMK-UHFFFAOYSA-N
MW537.65 g/mol
LogP2.02
Rot. Bonds11

About N-[1-[3-(2-methoxyethylsulfamoyl)phenyl]ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide

N-[1-[3-(2-methoxyethylsulfamoyl)phenyl]ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide (PubChem CID 171140629) has the molecular formula C21H23N5O6S3 and a molecular weight of 537.65 g/mol. Its IUPAC name is N-[1-[3-(2-methoxyethylsulfamoyl)phenyl]ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(2-methoxyethylsulfamoyl)phenyl]ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide
PubChem CID171140629
Molecular FormulaC21H23N5O6S3
Molecular Weight537.65 g/mol
Exact Mass537.08
IUPAC NameN-[1-[3-(2-methoxyethylsulfamoyl)phenyl]ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide
SMILESCOCCNS(=O)(=O)c1cccc(C(C)=NNC(=O)c2ccncc2NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C21H23N5O6S3/c1-15(16-5-3-6-17(13-16)34(28,29)23-10-11-32-2)24-25-21(27)18-8-9-22-14-19(18)26-35(30,31)20-7-4-12-33-20/h3-9,12-14,23,26H,10-11H2,1-2H3,(H,25,27)
InChIKeyXVVPGARKTNFKMK-UHFFFAOYSA-N
XLogP2.02
TPSA155.92 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.65
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-1-[3-(2-hydroxyethylsulfamoyl)phenyl]ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide
CID 172923739
N-[(E)-1-(3-morpholin-4-ylsulfonylphenyl)ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide
CID 172923742
N-[1-(4-tert-butylphenyl)ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide
CID 171140673
N-[(E)-1-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]ethylideneamino]-4-(thiophen-2-ylsulfonylamino)pyridine-3-carboxamide
CID 172923743
N-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide
CID 172923781
N-[(E)-1-[3-(cyanomethoxy)phenyl]ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 172923751
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
N-[(E)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 172923750
N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 4569049
N-[2-[[[3-(methoxymethyl)benzoyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 26248424
3-(2-methoxyethylsulfamoyl)-N-(3-methoxyphenyl)benzamide
CID 55565688
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-methoxyethylsulfamoyl)phenyl]ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide?
The IUPAC name of N-[1-[3-(2-methoxyethylsulfamoyl)phenyl]ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide (CID 171140629) is N-[1-[3-(2-methoxyethylsulfamoyl)phenyl]ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[3-(2-methoxyethylsulfamoyl)phenyl]ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[1-[3-(2-methoxyethylsulfamoyl)phenyl]ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide is COCCNS(=O)(=O)c1cccc(C(C)=NNC(=O)c2ccncc2NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[1-[3-(2-methoxyethylsulfamoyl)phenyl]ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide?
The InChIKey is XVVPGARKTNFKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O6S3/c1-15(16-5-3-6-17(13-16)34(28,29)23-10-11-32-2)24-25-21(27)18-8-9-22-14-19(18)26-35(30,31)20-7-4-12-33-20/h3-9,12-14,23,26H,10-11H2,1-2H3,(H,25,27).
What are the key properties of N-[1-[3-(2-methoxyethylsulfamoyl)phenyl]ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide?
N-[1-[3-(2-methoxyethylsulfamoyl)phenyl]ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide has a molecular weight of 537.65 g/mol, XLogP of 2.02, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-methoxyethylsulfamoyl)phenyl]ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide is sourced from PubChem (CID 171140629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).