N-(2-benzoyl-4-chlorophenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide

C25H18ClFN2O4S2 — CID 43900835

IUPACN-(2-benzoyl-4-chlorophenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
SMILESO=C(CN(c1ccccc1F)S(=O)(=O)c1cccs1)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C25H18ClFN2O4S2/c26-18-12-13-21(19(15-18)25(31)17-7-2-1-3-8-17)28-23(30)16-29(22-10-5-4-9-20(22)27)35(32,33)24-11-6-14-34-24/h1-15H,16H2,(H,28,30)
InChIKeyZSORNITYNWNTRM-UHFFFAOYSA-N
MW529.01 g/mol
LogP5.61
Rot. Bonds8

About N-(2-benzoyl-4-chlorophenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide

N-(2-benzoyl-4-chlorophenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide (PubChem CID 43900835) has the molecular formula C25H18ClFN2O4S2 and a molecular weight of 529.01 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
PubChem CID43900835
Molecular FormulaC25H18ClFN2O4S2
Molecular Weight529.01 g/mol
Exact Mass528.04
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
SMILESO=C(CN(c1ccccc1F)S(=O)(=O)c1cccs1)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C25H18ClFN2O4S2/c26-18-12-13-21(19(15-18)25(31)17-7-2-1-3-8-17)28-23(30)16-29(22-10-5-4-9-20(22)27)35(32,33)24-11-6-14-34-24/h1-15H,16H2,(H,28,30)
InChIKeyZSORNITYNWNTRM-UHFFFAOYSA-N
XLogP5.61
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.01
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-benzoyl-4-chlorophenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide 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

dimethyl 2-[[2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]amino]benzene-1,4-dicarboxylate
CID 30270471
methyl 3-[[2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]amino]-2-methylbenzoate
CID 30269413
N-(3-chloro-4-methylphenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30265197
N-ethyl-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30255328
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-propan-2-ylacetamide
CID 30255419
N-(2-benzoyl-4-chlorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 45372617
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 30266955
N-cyclopentyl-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30256064
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 30270304
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30255117
N-(2-benzoyl-4-chlorophenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 45372698
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 43900672

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide (CID 43900835) is N-(2-benzoyl-4-chlorophenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide is O=C(CN(c1ccccc1F)S(=O)(=O)c1cccs1)Nc1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide?
The InChIKey is ZSORNITYNWNTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClFN2O4S2/c26-18-12-13-21(19(15-18)25(31)17-7-2-1-3-8-17)28-23(30)16-29(22-10-5-4-9-20(22)27)35(32,33)24-11-6-14-34-24/h1-15H,16H2,(H,28,30).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide?
N-(2-benzoyl-4-chlorophenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide has a molecular weight of 529.01 g/mol, XLogP of 5.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide is sourced from PubChem (CID 43900835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).