N-[2-amino-5-(furan-2-yl)phenyl]-4-[1-(benzenesulfonylmethyl)triazol-4-yl]benzamide

C26H21N5O4S — CID 149188625

IUPACN-[2-amino-5-(furan-2-yl)phenyl]-4-[1-(benzenesulfonylmethyl)triazol-4-yl]benzamide
SMILESNc1ccc(-c2ccco2)cc1NC(=O)c1ccc(-c2cn(CS(=O)(=O)c3ccccc3)nn2)cc1
InChIInChI=1S/C26H21N5O4S/c27-22-13-12-20(25-7-4-14-35-25)15-23(22)28-26(32)19-10-8-18(9-11-19)24-16-31(30-29-24)17-36(33,34)21-5-2-1-3-6-21/h1-16H,17,27H2,(H,28,32)
InChIKeyXCJIKXQBHOGKHC-UHFFFAOYSA-N
MW499.55 g/mol
LogP4.47
Rot. Bonds7

About N-[2-amino-5-(furan-2-yl)phenyl]-4-[1-(benzenesulfonylmethyl)triazol-4-yl]benzamide

N-[2-amino-5-(furan-2-yl)phenyl]-4-[1-(benzenesulfonylmethyl)triazol-4-yl]benzamide (PubChem CID 149188625) has the molecular formula C26H21N5O4S and a molecular weight of 499.55 g/mol. Its IUPAC name is N-[2-amino-5-(furan-2-yl)phenyl]-4-[1-(benzenesulfonylmethyl)triazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[2-amino-5-(furan-2-yl)phenyl]-4-[1-(benzenesulfonylmethyl)triazol-4-yl]benzamide
PubChem CID149188625
Molecular FormulaC26H21N5O4S
Molecular Weight499.55 g/mol
Exact Mass499.13
IUPAC NameN-[2-amino-5-(furan-2-yl)phenyl]-4-[1-(benzenesulfonylmethyl)triazol-4-yl]benzamide
SMILESNc1ccc(-c2ccco2)cc1NC(=O)c1ccc(-c2cn(CS(=O)(=O)c3ccccc3)nn2)cc1
InChIInChI=1S/C26H21N5O4S/c27-22-13-12-20(25-7-4-14-35-25)15-23(22)28-26(32)19-10-8-18(9-11-19)24-16-31(30-29-24)17-36(33,34)21-5-2-1-3-6-21/h1-16H,17,27H2,(H,28,32)
InChIKeyXCJIKXQBHOGKHC-UHFFFAOYSA-N
XLogP4.47
TPSA133.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.55
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[2-amino-5-(furan-2-yl)phenyl]-4-[1-(benzenesulfonylmethyl)triazol-4-yl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(furan-2-yl)phenyl]-4-[1-(benzenesulfonylmethyl)triazol-4-yl]benzamide?
The IUPAC name of N-[2-amino-5-(furan-2-yl)phenyl]-4-[1-(benzenesulfonylmethyl)triazol-4-yl]benzamide (CID 149188625) is N-[2-amino-5-(furan-2-yl)phenyl]-4-[1-(benzenesulfonylmethyl)triazol-4-yl]benzamide.
What is the SMILES notation for N-[2-amino-5-(furan-2-yl)phenyl]-4-[1-(benzenesulfonylmethyl)triazol-4-yl]benzamide?
The canonical SMILES for N-[2-amino-5-(furan-2-yl)phenyl]-4-[1-(benzenesulfonylmethyl)triazol-4-yl]benzamide is Nc1ccc(-c2ccco2)cc1NC(=O)c1ccc(-c2cn(CS(=O)(=O)c3ccccc3)nn2)cc1.
What is the InChIKey of N-[2-amino-5-(furan-2-yl)phenyl]-4-[1-(benzenesulfonylmethyl)triazol-4-yl]benzamide?
The InChIKey is XCJIKXQBHOGKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O4S/c27-22-13-12-20(25-7-4-14-35-25)15-23(22)28-26(32)19-10-8-18(9-11-19)24-16-31(30-29-24)17-36(33,34)21-5-2-1-3-6-21/h1-16H,17,27H2,(H,28,32).
What are the key properties of N-[2-amino-5-(furan-2-yl)phenyl]-4-[1-(benzenesulfonylmethyl)triazol-4-yl]benzamide?
N-[2-amino-5-(furan-2-yl)phenyl]-4-[1-(benzenesulfonylmethyl)triazol-4-yl]benzamide has a molecular weight of 499.55 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(furan-2-yl)phenyl]-4-[1-(benzenesulfonylmethyl)triazol-4-yl]benzamide is sourced from PubChem (CID 149188625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).