2-[3-(2-bromo-5-chlorophenoxy)-4-chlorophenyl]-N-[2-methyl-4-(3-sulfamoylpropoxy)phenyl]acetamide

C24H23BrCl2N2O5S — CID 21079556

IUPAC2-[3-(2-bromo-5-chlorophenoxy)-4-chlorophenyl]-N-[2-methyl-4-(3-sulfamoylpropoxy)phenyl]acetamide
SMILESCc1cc(OCCCS(N)(=O)=O)ccc1NC(=O)Cc1ccc(Cl)c(Oc2cc(Cl)ccc2Br)c1
InChIInChI=1S/C24H23BrCl2N2O5S/c1-15-11-18(33-9-2-10-35(28,31)32)5-8-21(15)29-24(30)13-16-3-7-20(27)23(12-16)34-22-14-17(26)4-6-19(22)25/h3-8,11-12,14H,2,9-10,13H2,1H3,(H,29,30)(H2,28,31,32)
InChIKeyASPHPYFUDRQPPJ-UHFFFAOYSA-N
MW602.33 g/mol
LogP6.10
Rot. Bonds10

About 2-[3-(2-bromo-5-chlorophenoxy)-4-chlorophenyl]-N-[2-methyl-4-(3-sulfamoylpropoxy)phenyl]acetamide

2-[3-(2-bromo-5-chlorophenoxy)-4-chlorophenyl]-N-[2-methyl-4-(3-sulfamoylpropoxy)phenyl]acetamide (PubChem CID 21079556) has the molecular formula C24H23BrCl2N2O5S and a molecular weight of 602.33 g/mol. Its IUPAC name is 2-[3-(2-bromo-5-chlorophenoxy)-4-chlorophenyl]-N-[2-methyl-4-(3-sulfamoylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(2-bromo-5-chlorophenoxy)-4-chlorophenyl]-N-[2-methyl-4-(3-sulfamoylpropoxy)phenyl]acetamide
PubChem CID21079556
Molecular FormulaC24H23BrCl2N2O5S
Molecular Weight602.33 g/mol
Exact Mass599.99
IUPAC Name2-[3-(2-bromo-5-chlorophenoxy)-4-chlorophenyl]-N-[2-methyl-4-(3-sulfamoylpropoxy)phenyl]acetamide
SMILESCc1cc(OCCCS(N)(=O)=O)ccc1NC(=O)Cc1ccc(Cl)c(Oc2cc(Cl)ccc2Br)c1
InChIInChI=1S/C24H23BrCl2N2O5S/c1-15-11-18(33-9-2-10-35(28,31)32)5-8-21(15)29-24(30)13-16-3-7-20(27)23(12-16)34-22-14-17(26)4-6-19(22)25/h3-8,11-12,14H,2,9-10,13H2,1H3,(H,29,30)(H2,28,31,32)
InChIKeyASPHPYFUDRQPPJ-UHFFFAOYSA-N
XLogP6.10
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.33
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dichlorophenyl)-N-(2-methyl-4-propoxyphenyl)acetamide
CID 60540563
2-[4-chloro-2-[3-methyl-5-(trifluoromethyl)benzoyl]phenoxy]-N-[2-methyl-4-(3-sulfamoylpropoxy)phenyl]acetamide
CID 162577845
4-(4-chloro-3-methylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 19191212
4-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
CID 19191267
N-(4-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 1122557
N-(2-bromo-4-chlorophenyl)-2-(4-methoxyphenyl)acetamide
CID 81028782
3-amino-N-(4-butoxy-2-methylphenyl)propanamide
CID 39353448
4-(2,5-dichlorophenoxy)-2-methylbenzenesulfonamide
CID 43436524
2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-methylphenoxy]acetic acid
CID 119231676
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556032
N-(4-butoxy-2-methylphenyl)-3-[(3-chlorophenyl)sulfonylamino]propanamide
CID 55977497
N-(4-chloro-2-methylphenyl)-3-(4-methylphenoxy)propanamide
CID 7914785

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-bromo-5-chlorophenoxy)-4-chlorophenyl]-N-[2-methyl-4-(3-sulfamoylpropoxy)phenyl]acetamide?
The IUPAC name of 2-[3-(2-bromo-5-chlorophenoxy)-4-chlorophenyl]-N-[2-methyl-4-(3-sulfamoylpropoxy)phenyl]acetamide (CID 21079556) is 2-[3-(2-bromo-5-chlorophenoxy)-4-chlorophenyl]-N-[2-methyl-4-(3-sulfamoylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-[3-(2-bromo-5-chlorophenoxy)-4-chlorophenyl]-N-[2-methyl-4-(3-sulfamoylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-[3-(2-bromo-5-chlorophenoxy)-4-chlorophenyl]-N-[2-methyl-4-(3-sulfamoylpropoxy)phenyl]acetamide is Cc1cc(OCCCS(N)(=O)=O)ccc1NC(=O)Cc1ccc(Cl)c(Oc2cc(Cl)ccc2Br)c1.
What is the InChIKey of 2-[3-(2-bromo-5-chlorophenoxy)-4-chlorophenyl]-N-[2-methyl-4-(3-sulfamoylpropoxy)phenyl]acetamide?
The InChIKey is ASPHPYFUDRQPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrCl2N2O5S/c1-15-11-18(33-9-2-10-35(28,31)32)5-8-21(15)29-24(30)13-16-3-7-20(27)23(12-16)34-22-14-17(26)4-6-19(22)25/h3-8,11-12,14H,2,9-10,13H2,1H3,(H,29,30)(H2,28,31,32).
What are the key properties of 2-[3-(2-bromo-5-chlorophenoxy)-4-chlorophenyl]-N-[2-methyl-4-(3-sulfamoylpropoxy)phenyl]acetamide?
2-[3-(2-bromo-5-chlorophenoxy)-4-chlorophenyl]-N-[2-methyl-4-(3-sulfamoylpropoxy)phenyl]acetamide has a molecular weight of 602.33 g/mol, XLogP of 6.10, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-bromo-5-chlorophenoxy)-4-chlorophenyl]-N-[2-methyl-4-(3-sulfamoylpropoxy)phenyl]acetamide is sourced from PubChem (CID 21079556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).