N-[(2-chlorophenyl)methyl]-2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)acetamide

C22H20ClFN2O4S — CID 30232771

IUPACN-[(2-chlorophenyl)methyl]-2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H20ClFN2O4S/c1-30-21-9-5-4-8-20(21)26(31(28,29)18-12-10-17(24)11-13-18)15-22(27)25-14-16-6-2-3-7-19(16)23/h2-13H,14-15H2,1H3,(H,25,27)
InChIKeyKJFRGYKBFYGNKU-UHFFFAOYSA-N
MW462.93 g/mol
LogP4.00
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)acetamide

N-[(2-chlorophenyl)methyl]-2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)acetamide (PubChem CID 30232771) has the molecular formula C22H20ClFN2O4S and a molecular weight of 462.93 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)acetamide
PubChem CID30232771
Molecular FormulaC22H20ClFN2O4S
Molecular Weight462.93 g/mol
Exact Mass462.08
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H20ClFN2O4S/c1-30-21-9-5-4-8-20(21)26(31(28,29)18-12-10-17(24)11-13-18)15-22(27)25-14-16-6-2-3-7-19(16)23/h2-13H,14-15H2,1H3,(H,25,27)
InChIKeyKJFRGYKBFYGNKU-UHFFFAOYSA-N
XLogP4.00
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.93
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-chlorophenyl)methyl]-2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)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

N-[(2-chlorophenyl)methyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 1210502
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 1336294
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51344460
N-[(3-fluoro-4-methylphenyl)methyl]-2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)acetamide
CID 24581755
N-[(2-chlorophenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 53279173
N-(2-chloro-4-methylphenyl)-2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)acetamide
CID 52891332
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 126033129
N-[(3-chlorophenyl)methyl]-2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)acetamide
CID 2695409
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 45372487
2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 2231836
2-(N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 2695420
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(2-chlorophenyl)methyl]acetamide
CID 126126356

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)acetamide (CID 30232771) is N-[(2-chlorophenyl)methyl]-2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)acetamide is COc1ccccc1N(CC(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)acetamide?
The InChIKey is KJFRGYKBFYGNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O4S/c1-30-21-9-5-4-8-20(21)26(31(28,29)18-12-10-17(24)11-13-18)15-22(27)25-14-16-6-2-3-7-19(16)23/h2-13H,14-15H2,1H3,(H,25,27).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)acetamide?
N-[(2-chlorophenyl)methyl]-2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)acetamide has a molecular weight of 462.93 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)acetamide is sourced from PubChem (CID 30232771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).