4-(2,5-dimethylpyrrol-1-yl)-N-[(E)-1-[4-(furan-2-ylmethylsulfamoyl)phenyl]ethylideneamino]benzamide

C26H26N4O4S — CID 16553513

IUPAC4-(2,5-dimethylpyrrol-1-yl)-N-[(E)-1-[4-(furan-2-ylmethylsulfamoyl)phenyl]ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C26H26N4O4S/c1-18-6-7-19(2)30(18)23-12-8-22(9-13-23)26(31)29-28-20(3)21-10-14-25(15-11-21)35(32,33)27-17-24-5-4-16-34-24/h4-16,27H,17H2,1-3H3,(H,29,31)/b28-20+
InChIKeyALFDBIZQNUGXNC-VFCFBJKWSA-N
MW490.59 g/mol
LogP4.32
Rot. Bonds8

About 4-(2,5-dimethylpyrrol-1-yl)-N-[(E)-1-[4-(furan-2-ylmethylsulfamoyl)phenyl]ethylideneamino]benzamide

4-(2,5-dimethylpyrrol-1-yl)-N-[(E)-1-[4-(furan-2-ylmethylsulfamoyl)phenyl]ethylideneamino]benzamide (PubChem CID 16553513) has the molecular formula C26H26N4O4S and a molecular weight of 490.59 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrrol-1-yl)-N-[(E)-1-[4-(furan-2-ylmethylsulfamoyl)phenyl]ethylideneamino]benzamide.

Molecular Properties

Compound Name4-(2,5-dimethylpyrrol-1-yl)-N-[(E)-1-[4-(furan-2-ylmethylsulfamoyl)phenyl]ethylideneamino]benzamide
PubChem CID16553513
Molecular FormulaC26H26N4O4S
Molecular Weight490.59 g/mol
Exact Mass490.17
IUPAC Name4-(2,5-dimethylpyrrol-1-yl)-N-[(E)-1-[4-(furan-2-ylmethylsulfamoyl)phenyl]ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C26H26N4O4S/c1-18-6-7-19(2)30(18)23-12-8-22(9-13-23)26(31)29-28-20(3)21-10-14-25(15-11-21)35(32,33)27-17-24-5-4-16-34-24/h4-16,27H,17H2,1-3H3,(H,29,31)/b28-20+
InChIKeyALFDBIZQNUGXNC-VFCFBJKWSA-N
XLogP4.32
TPSA105.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(2,5-dimethylpyrrol-1-yl)-N-[(E)-1-[4-(furan-2-ylmethylsulfamoyl)phenyl]ethylideneamino]benzamide 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-[(Z)-1-[4-(furan-2-ylmethylsulfamoyl)phenyl]ethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6218263
tert-butyl N-[(E)-1-[4-(furan-2-ylmethylsulfamoyl)phenyl]ethylideneamino]carbamate
CID 42996807
3-[(2Z)-2-[1-[4-(furan-2-ylmethylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoic acid
CID 6303601
4-[(Z)-N-[(4-ethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 29354790
N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 16553524
4-(furan-2-ylmethylsulfamoyl)-N-(3-pyrrol-1-ylphenyl)benzamide
CID 55567977
4-[(Z)-N-[2-chloro-5-(trifluoromethyl)anilino]-C-methylcarbonimidoyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 6090509
2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3292841
2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]butanoic acid
CID 119223860
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 38760567
N-(4-chlorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 2687824
N-(3-ethylpent-1-yn-3-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 18271449

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)-N-[(E)-1-[4-(furan-2-ylmethylsulfamoyl)phenyl]ethylideneamino]benzamide?
The IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)-N-[(E)-1-[4-(furan-2-ylmethylsulfamoyl)phenyl]ethylideneamino]benzamide (CID 16553513) is 4-(2,5-dimethylpyrrol-1-yl)-N-[(E)-1-[4-(furan-2-ylmethylsulfamoyl)phenyl]ethylideneamino]benzamide.
What is the SMILES notation for 4-(2,5-dimethylpyrrol-1-yl)-N-[(E)-1-[4-(furan-2-ylmethylsulfamoyl)phenyl]ethylideneamino]benzamide?
The canonical SMILES for 4-(2,5-dimethylpyrrol-1-yl)-N-[(E)-1-[4-(furan-2-ylmethylsulfamoyl)phenyl]ethylideneamino]benzamide is C/C(=N\NC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of 4-(2,5-dimethylpyrrol-1-yl)-N-[(E)-1-[4-(furan-2-ylmethylsulfamoyl)phenyl]ethylideneamino]benzamide?
The InChIKey is ALFDBIZQNUGXNC-VFCFBJKWSA-N. The full InChI is InChI=1S/C26H26N4O4S/c1-18-6-7-19(2)30(18)23-12-8-22(9-13-23)26(31)29-28-20(3)21-10-14-25(15-11-21)35(32,33)27-17-24-5-4-16-34-24/h4-16,27H,17H2,1-3H3,(H,29,31)/b28-20+.
What are the key properties of 4-(2,5-dimethylpyrrol-1-yl)-N-[(E)-1-[4-(furan-2-ylmethylsulfamoyl)phenyl]ethylideneamino]benzamide?
4-(2,5-dimethylpyrrol-1-yl)-N-[(E)-1-[4-(furan-2-ylmethylsulfamoyl)phenyl]ethylideneamino]benzamide has a molecular weight of 490.59 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrrol-1-yl)-N-[(E)-1-[4-(furan-2-ylmethylsulfamoyl)phenyl]ethylideneamino]benzamide is sourced from PubChem (CID 16553513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).