N-(3-chloro-2-methylphenyl)-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide

C23H22ClFN2O4S — CID 126415808

IUPACN-(3-chloro-2-methylphenyl)-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H22ClFN2O4S/c1-3-31-19-11-9-18(10-12-19)27(32(29,30)20-13-7-17(25)8-14-20)15-23(28)26-22-6-4-5-21(24)16(22)2/h4-14H,3,15H2,1-2H3,(H,26,28)
InChIKeyXEZNHQCQYKKWPY-UHFFFAOYSA-N
MW476.96 g/mol
LogP5.02
Rot. Bonds8

About N-(3-chloro-2-methylphenyl)-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide

N-(3-chloro-2-methylphenyl)-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide (PubChem CID 126415808) has the molecular formula C23H22ClFN2O4S and a molecular weight of 476.96 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide
PubChem CID126415808
Molecular FormulaC23H22ClFN2O4S
Molecular Weight476.96 g/mol
Exact Mass476.10
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H22ClFN2O4S/c1-3-31-19-11-9-18(10-12-19)27(32(29,30)20-13-7-17(25)8-14-20)15-23(28)26-22-6-4-5-21(24)16(22)2/h4-14H,3,15H2,1-2H3,(H,26,28)
InChIKeyXEZNHQCQYKKWPY-UHFFFAOYSA-N
XLogP5.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.96
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 43891818
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(2-methoxyphenyl)acetamide
CID 53280206
N-(3-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 45373189
N-(4-chlorophenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 126385893
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 3555680
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 126413944
N-(2,4-dimethylphenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 4041099
N-(2,5-dimethylphenyl)-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 53280294
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 3563496
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)acetamide
CID 126335503
N-(4-ethoxyphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 978482
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 2228494

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide (CID 126415808) is N-(3-chloro-2-methylphenyl)-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide is CCOc1ccc(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide?
The InChIKey is XEZNHQCQYKKWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN2O4S/c1-3-31-19-11-9-18(10-12-19)27(32(29,30)20-13-7-17(25)8-14-20)15-23(28)26-22-6-4-5-21(24)16(22)2/h4-14H,3,15H2,1-2H3,(H,26,28).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide?
N-(3-chloro-2-methylphenyl)-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide has a molecular weight of 476.96 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 126415808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).