2-[4-chloro-3-(3-cyano-5-cyclopropylphenoxy)-2-fluorophenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide

C24H18Cl2FN3O5S — CID 24968175

IUPAC2-[4-chloro-3-(3-cyano-5-cyclopropylphenoxy)-2-fluorophenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide
SMILESN#Cc1cc(Oc2c(Cl)ccc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3Cl)c2F)cc(C2CC2)c1
InChIInChI=1S/C24H18Cl2FN3O5S/c25-18-4-6-21(34-12-22(31)30-20-5-3-17(10-19(20)26)36(29,32)33)23(27)24(18)35-16-8-13(11-28)7-15(9-16)14-1-2-14/h3-10,14H,1-2,12H2,(H,30,31)(H2,29,32,33)
InChIKeyFPCNBWUFYVBVGP-UHFFFAOYSA-N
MW550.40 g/mol
LogP5.34
Rot. Bonds8

About 2-[4-chloro-3-(3-cyano-5-cyclopropylphenoxy)-2-fluorophenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide

2-[4-chloro-3-(3-cyano-5-cyclopropylphenoxy)-2-fluorophenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide (PubChem CID 24968175) has the molecular formula C24H18Cl2FN3O5S and a molecular weight of 550.40 g/mol. Its IUPAC name is 2-[4-chloro-3-(3-cyano-5-cyclopropylphenoxy)-2-fluorophenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-3-(3-cyano-5-cyclopropylphenoxy)-2-fluorophenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide
PubChem CID24968175
Molecular FormulaC24H18Cl2FN3O5S
Molecular Weight550.40 g/mol
Exact Mass549.03
IUPAC Name2-[4-chloro-3-(3-cyano-5-cyclopropylphenoxy)-2-fluorophenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide
SMILESN#Cc1cc(Oc2c(Cl)ccc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3Cl)c2F)cc(C2CC2)c1
InChIInChI=1S/C24H18Cl2FN3O5S/c25-18-4-6-21(34-12-22(31)30-20-5-3-17(10-19(20)26)36(29,32)33)23(27)24(18)35-16-8-13(11-28)7-15(9-16)14-1-2-14/h3-10,14H,1-2,12H2,(H,30,31)(H2,29,32,33)
InChIKeyFPCNBWUFYVBVGP-UHFFFAOYSA-N
XLogP5.34
TPSA131.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.40
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-bromo-3-(3-cyano-5-methoxyphenoxy)-2-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 24967452
2-[4-chloro-3-[3-cyano-5-[3-(dimethylamino)prop-1-ynyl]phenoxy]-2-fluorophenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 21079710
N-[3-chloro-4-[[2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetyl]amino]phenyl]sulfonylbutanamide
CID 11505476
2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide
CID 21079637
2-[3-(3-chloro-5-methylphenoxy)-5-methylphenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide
CID 143402513
N-(2-chloro-4-fluorophenyl)-2-(4-cyanophenoxy)acetamide
CID 7771641
2-[2-(3-chloro-5-cyanophenoxy)-4-(trifluoromethoxy)phenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide
CID 69077628
2-[3-(3-chloro-5-cyanophenoxy)-5-methoxyphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 67480750
2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-[2-(methylsulfamoyl)phenyl]acetamide
CID 69018128
N-(2-chlorophenyl)-2-(4-cyano-2-fluorophenoxy)acetamide
CID 103792209
4-(3-chloro-5-cyanophenoxy)-3-methoxy-N-(2-methyl-4-sulfamoylphenyl)benzamide
CID 58856179
2-[6-cyano-1-(3-methylbenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 56669534

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(3-cyano-5-cyclopropylphenoxy)-2-fluorophenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[4-chloro-3-(3-cyano-5-cyclopropylphenoxy)-2-fluorophenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide (CID 24968175) is 2-[4-chloro-3-(3-cyano-5-cyclopropylphenoxy)-2-fluorophenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[4-chloro-3-(3-cyano-5-cyclopropylphenoxy)-2-fluorophenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[4-chloro-3-(3-cyano-5-cyclopropylphenoxy)-2-fluorophenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide is N#Cc1cc(Oc2c(Cl)ccc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3Cl)c2F)cc(C2CC2)c1.
What is the InChIKey of 2-[4-chloro-3-(3-cyano-5-cyclopropylphenoxy)-2-fluorophenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide?
The InChIKey is FPCNBWUFYVBVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2FN3O5S/c25-18-4-6-21(34-12-22(31)30-20-5-3-17(10-19(20)26)36(29,32)33)23(27)24(18)35-16-8-13(11-28)7-15(9-16)14-1-2-14/h3-10,14H,1-2,12H2,(H,30,31)(H2,29,32,33).
What are the key properties of 2-[4-chloro-3-(3-cyano-5-cyclopropylphenoxy)-2-fluorophenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide?
2-[4-chloro-3-(3-cyano-5-cyclopropylphenoxy)-2-fluorophenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide has a molecular weight of 550.40 g/mol, XLogP of 5.34, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(3-cyano-5-cyclopropylphenoxy)-2-fluorophenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 24968175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).