N-(4-bromo-2-methylphenyl)-2-phenyl-2-(thiophen-2-ylsulfonylamino)acetamide

C19H17BrN2O3S2 — CID 15988676

IUPACN-(4-bromo-2-methylphenyl)-2-phenyl-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESCc1cc(Br)ccc1NC(=O)C(NS(=O)(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C19H17BrN2O3S2/c1-13-12-15(20)9-10-16(13)21-19(23)18(14-6-3-2-4-7-14)22-27(24,25)17-8-5-11-26-17/h2-12,18,22H,1H3,(H,21,23)
InChIKeyVUHNOGMONGXEGG-UHFFFAOYSA-N
MW465.39 g/mol
LogP4.48
Rot. Bonds6

About N-(4-bromo-2-methylphenyl)-2-phenyl-2-(thiophen-2-ylsulfonylamino)acetamide

N-(4-bromo-2-methylphenyl)-2-phenyl-2-(thiophen-2-ylsulfonylamino)acetamide (PubChem CID 15988676) has the molecular formula C19H17BrN2O3S2 and a molecular weight of 465.39 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-phenyl-2-(thiophen-2-ylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-phenyl-2-(thiophen-2-ylsulfonylamino)acetamide
PubChem CID15988676
Molecular FormulaC19H17BrN2O3S2
Molecular Weight465.39 g/mol
Exact Mass463.99
IUPAC NameN-(4-bromo-2-methylphenyl)-2-phenyl-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESCc1cc(Br)ccc1NC(=O)C(NS(=O)(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C19H17BrN2O3S2/c1-13-12-15(20)9-10-16(13)21-19(23)18(14-6-3-2-4-7-14)22-27(24,25)17-8-5-11-26-17/h2-12,18,22H,1H3,(H,21,23)
InChIKeyVUHNOGMONGXEGG-UHFFFAOYSA-N
XLogP4.48
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.39
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-bromo-2-methylphenyl)-2-phenyl-2-(thiophen-2-ylsulfonylamino)acetamide 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-(4-bromo-2-methylphenyl)-2-phenyl-2-(thiophen-2-ylsulfonylamino)acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-phenyl-2-(thiophen-2-ylsulfonylamino)acetamide (CID 15988676) is N-(4-bromo-2-methylphenyl)-2-phenyl-2-(thiophen-2-ylsulfonylamino)acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-phenyl-2-(thiophen-2-ylsulfonylamino)acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-phenyl-2-(thiophen-2-ylsulfonylamino)acetamide is Cc1cc(Br)ccc1NC(=O)C(NS(=O)(=O)c1cccs1)c1ccccc1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-phenyl-2-(thiophen-2-ylsulfonylamino)acetamide?
The InChIKey is VUHNOGMONGXEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O3S2/c1-13-12-15(20)9-10-16(13)21-19(23)18(14-6-3-2-4-7-14)22-27(24,25)17-8-5-11-26-17/h2-12,18,22H,1H3,(H,21,23).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-phenyl-2-(thiophen-2-ylsulfonylamino)acetamide?
N-(4-bromo-2-methylphenyl)-2-phenyl-2-(thiophen-2-ylsulfonylamino)acetamide has a molecular weight of 465.39 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-phenyl-2-(thiophen-2-ylsulfonylamino)acetamide is sourced from PubChem (CID 15988676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).