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

C22H23N5O6S3 — CID 172923742

IUPACN-[(E)-1-(3-morpholin-4-ylsulfonylphenyl)ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1ccncc1NS(=O)(=O)c1cccs1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H23N5O6S3/c1-16(17-4-2-5-18(14-17)36(31,32)27-9-11-33-12-10-27)24-25-22(28)19-7-8-23-15-20(19)26-35(29,30)21-6-3-13-34-21/h2-8,13-15,26H,9-12H2,1H3,(H,25,28)/b24-16+
InChIKeyACJUXCAZUQKILP-LFVJCYFKSA-N
MW549.66 g/mol
LogP2.12
Rot. Bonds8

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

N-[(E)-1-(3-morpholin-4-ylsulfonylphenyl)ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide (PubChem CID 172923742) has the molecular formula C22H23N5O6S3 and a molecular weight of 549.66 g/mol. Its IUPAC name is N-[(E)-1-(3-morpholin-4-ylsulfonylphenyl)ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(3-morpholin-4-ylsulfonylphenyl)ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide
PubChem CID172923742
Molecular FormulaC22H23N5O6S3
Molecular Weight549.66 g/mol
Exact Mass549.08
IUPAC NameN-[(E)-1-(3-morpholin-4-ylsulfonylphenyl)ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1ccncc1NS(=O)(=O)c1cccs1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H23N5O6S3/c1-16(17-4-2-5-18(14-17)36(31,32)27-9-11-33-12-10-27)24-25-22(28)19-7-8-23-15-20(19)26-35(29,30)21-6-3-13-34-21/h2-8,13-15,26H,9-12H2,1H3,(H,25,28)/b24-16+
InChIKeyACJUXCAZUQKILP-LFVJCYFKSA-N
XLogP2.12
TPSA147.13 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.66
LogP ≤ 52.12
H-Bond Donors ≤ 52
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'}

Analyze N-[(E)-1-(3-morpholin-4-ylsulfonylphenyl)ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(E)-1-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]ethylideneamino]-4-(thiophen-2-ylsulfonylamino)pyridine-3-carboxamide
CID 172923743
N-[(E)-1-[3-(2-hydroxyethylsulfamoyl)phenyl]ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide
CID 172923739
N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)thiophene-2-sulfonamide
CID 22110261
(3-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2542470
N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 6092193
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 135755195
(3-morpholin-4-ylsulfonylphenyl)-[(2E)-2-(1-pyridin-3-ylethylidene)hydrazinyl]methanol
CID 154987149
3-morpholin-4-ylsulfonyl-N-(1-phenylpropylideneamino)benzamide
CID 4611586
N-[(Z)-1-(4-fluorophenyl)propylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 9061106
N-[1-(4-fluorophenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 3295556
N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 4569049
3-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 27770200

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3-morpholin-4-ylsulfonylphenyl)ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide?
The IUPAC name of N-[(E)-1-(3-morpholin-4-ylsulfonylphenyl)ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide (CID 172923742) is N-[(E)-1-(3-morpholin-4-ylsulfonylphenyl)ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-1-(3-morpholin-4-ylsulfonylphenyl)ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-1-(3-morpholin-4-ylsulfonylphenyl)ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide is C/C(=N\NC(=O)c1ccncc1NS(=O)(=O)c1cccs1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-[(E)-1-(3-morpholin-4-ylsulfonylphenyl)ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide?
The InChIKey is ACJUXCAZUQKILP-LFVJCYFKSA-N. The full InChI is InChI=1S/C22H23N5O6S3/c1-16(17-4-2-5-18(14-17)36(31,32)27-9-11-33-12-10-27)24-25-22(28)19-7-8-23-15-20(19)26-35(29,30)21-6-3-13-34-21/h2-8,13-15,26H,9-12H2,1H3,(H,25,28)/b24-16+.
What are the key properties of N-[(E)-1-(3-morpholin-4-ylsulfonylphenyl)ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide?
N-[(E)-1-(3-morpholin-4-ylsulfonylphenyl)ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide has a molecular weight of 549.66 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3-morpholin-4-ylsulfonylphenyl)ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide is sourced from PubChem (CID 172923742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).