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

C20H21N5O6S3 — CID 172923739

IUPACN-[(E)-1-[3-(2-hydroxyethylsulfamoyl)phenyl]ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1ccncc1NS(=O)(=O)c1cccs1)c1cccc(S(=O)(=O)NCCO)c1
InChIInChI=1S/C20H21N5O6S3/c1-14(15-4-2-5-16(12-15)33(28,29)22-9-10-26)23-24-20(27)17-7-8-21-13-18(17)25-34(30,31)19-6-3-11-32-19/h2-8,11-13,22,25-26H,9-10H2,1H3,(H,24,27)/b23-14+
InChIKeyNEQJJZKKXXCIIQ-OEAKJJBVSA-N
MW523.62 g/mol
LogP1.37
Rot. Bonds10

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

N-[(E)-1-[3-(2-hydroxyethylsulfamoyl)phenyl]ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide (PubChem CID 172923739) has the molecular formula C20H21N5O6S3 and a molecular weight of 523.62 g/mol. Its IUPAC name is N-[(E)-1-[3-(2-hydroxyethylsulfamoyl)phenyl]ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-[3-(2-hydroxyethylsulfamoyl)phenyl]ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide
PubChem CID172923739
Molecular FormulaC20H21N5O6S3
Molecular Weight523.62 g/mol
Exact Mass523.07
IUPAC NameN-[(E)-1-[3-(2-hydroxyethylsulfamoyl)phenyl]ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1ccncc1NS(=O)(=O)c1cccs1)c1cccc(S(=O)(=O)NCCO)c1
InChIInChI=1S/C20H21N5O6S3/c1-14(15-4-2-5-16(12-15)33(28,29)22-9-10-26)23-24-20(27)17-7-8-21-13-18(17)25-34(30,31)19-6-3-11-32-19/h2-8,11-13,22,25-26H,9-10H2,1H3,(H,24,27)/b23-14+
InChIKeyNEQJJZKKXXCIIQ-OEAKJJBVSA-N
XLogP1.37
TPSA166.92 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.62
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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-[1-[3-(2-methoxyethylsulfamoyl)phenyl]ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide
CID 171140629
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-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 4569049
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 135679012
N-[(E)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 172923750
N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 7392702
N-[(E)-pyridin-4-ylmethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6908136
3-acetyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501553

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[3-(2-hydroxyethylsulfamoyl)phenyl]ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide?
The IUPAC name of N-[(E)-1-[3-(2-hydroxyethylsulfamoyl)phenyl]ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide (CID 172923739) is N-[(E)-1-[3-(2-hydroxyethylsulfamoyl)phenyl]ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-1-[3-(2-hydroxyethylsulfamoyl)phenyl]ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-1-[3-(2-hydroxyethylsulfamoyl)phenyl]ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide is C/C(=N\NC(=O)c1ccncc1NS(=O)(=O)c1cccs1)c1cccc(S(=O)(=O)NCCO)c1.
What is the InChIKey of N-[(E)-1-[3-(2-hydroxyethylsulfamoyl)phenyl]ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide?
The InChIKey is NEQJJZKKXXCIIQ-OEAKJJBVSA-N. The full InChI is InChI=1S/C20H21N5O6S3/c1-14(15-4-2-5-16(12-15)33(28,29)22-9-10-26)23-24-20(27)17-7-8-21-13-18(17)25-34(30,31)19-6-3-11-32-19/h2-8,11-13,22,25-26H,9-10H2,1H3,(H,24,27)/b23-14+.
What are the key properties of N-[(E)-1-[3-(2-hydroxyethylsulfamoyl)phenyl]ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide?
N-[(E)-1-[3-(2-hydroxyethylsulfamoyl)phenyl]ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide has a molecular weight of 523.62 g/mol, XLogP of 1.37, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[3-(2-hydroxyethylsulfamoyl)phenyl]ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide is sourced from PubChem (CID 172923739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).