2-[3-(3-chloro-5-methylphenoxy)-5-methylphenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide

C22H20Cl2N2O5S — CID 143402513

IUPAC2-[3-(3-chloro-5-methylphenoxy)-5-methylphenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide
SMILESCc1cc(Cl)cc(Oc2cc(C)cc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3Cl)c2)c1
InChIInChI=1S/C22H20Cl2N2O5S/c1-13-5-15(23)9-17(7-13)31-18-8-14(2)6-16(10-18)30-12-22(27)26-21-4-3-19(11-20(21)24)32(25,28)29/h3-11H,12H2,1-2H3,(H,26,27)(H2,25,28,29)
InChIKeyVUNIUDFYDSGIKC-UHFFFAOYSA-N
MW495.38 g/mol
LogP5.07
Rot. Bonds7

About 2-[3-(3-chloro-5-methylphenoxy)-5-methylphenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide

2-[3-(3-chloro-5-methylphenoxy)-5-methylphenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide (PubChem CID 143402513) has the molecular formula C22H20Cl2N2O5S and a molecular weight of 495.38 g/mol. Its IUPAC name is 2-[3-(3-chloro-5-methylphenoxy)-5-methylphenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(3-chloro-5-methylphenoxy)-5-methylphenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide
PubChem CID143402513
Molecular FormulaC22H20Cl2N2O5S
Molecular Weight495.38 g/mol
Exact Mass494.05
IUPAC Name2-[3-(3-chloro-5-methylphenoxy)-5-methylphenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide
SMILESCc1cc(Cl)cc(Oc2cc(C)cc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3Cl)c2)c1
InChIInChI=1S/C22H20Cl2N2O5S/c1-13-5-15(23)9-17(7-13)31-18-8-14(2)6-16(10-18)30-12-22(27)26-21-4-3-19(11-20(21)24)32(25,28)29/h3-11H,12H2,1-2H3,(H,26,27)(H2,25,28,29)
InChIKeyVUNIUDFYDSGIKC-UHFFFAOYSA-N
XLogP5.07
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.38
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 18870470
N-(4-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 7784194
2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide
CID 21079637
N-(3,5-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide
CID 18870439
5-chloro-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzoic acid
CID 2233863
2-[4-chloro-2-[(2,4-dimethylphenyl)-hydroxymethyl]phenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 56658120
2-[3-(3-chloro-5-cyanophenoxy)-5-methoxyphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 67480750
N-(2,3-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide
CID 18870437
3-chloro-4-(3,5-dimethylphenoxy)benzenesulfonamide
CID 61373703
N-(2-chloro-4-sulfamoylphenyl)pentanamide
CID 43134096
N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 679560
N-(4-chloro-2-methylphenyl)-2-(3,5-dichlorophenoxy)acetamide
CID 7467092

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chloro-5-methylphenoxy)-5-methylphenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[3-(3-chloro-5-methylphenoxy)-5-methylphenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide (CID 143402513) is 2-[3-(3-chloro-5-methylphenoxy)-5-methylphenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[3-(3-chloro-5-methylphenoxy)-5-methylphenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[3-(3-chloro-5-methylphenoxy)-5-methylphenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide is Cc1cc(Cl)cc(Oc2cc(C)cc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3Cl)c2)c1.
What is the InChIKey of 2-[3-(3-chloro-5-methylphenoxy)-5-methylphenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide?
The InChIKey is VUNIUDFYDSGIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O5S/c1-13-5-15(23)9-17(7-13)31-18-8-14(2)6-16(10-18)30-12-22(27)26-21-4-3-19(11-20(21)24)32(25,28)29/h3-11H,12H2,1-2H3,(H,26,27)(H2,25,28,29).
What are the key properties of 2-[3-(3-chloro-5-methylphenoxy)-5-methylphenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide?
2-[3-(3-chloro-5-methylphenoxy)-5-methylphenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide has a molecular weight of 495.38 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chloro-5-methylphenoxy)-5-methylphenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 143402513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).