2-(4-bromo-3-methylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide

C22H19BrClNO5S — CID 19217990

IUPAC2-(4-bromo-3-methylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(C(=O)COc2ccc(Br)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H19BrClNO5S/c1-15-13-19(9-12-21(15)23)30-14-22(26)25(17-5-7-18(29-2)8-6-17)31(27,28)20-10-3-16(24)4-11-20/h3-13H,14H2,1-2H3
InChIKeyVXVRLXKDNKHOPX-UHFFFAOYSA-N
MW524.82 g/mol
LogP5.22
Rot. Bonds7

About 2-(4-bromo-3-methylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide

2-(4-bromo-3-methylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide (PubChem CID 19217990) has the molecular formula C22H19BrClNO5S and a molecular weight of 524.82 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
PubChem CID19217990
Molecular FormulaC22H19BrClNO5S
Molecular Weight524.82 g/mol
Exact Mass522.99
IUPAC Name2-(4-bromo-3-methylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(C(=O)COc2ccc(Br)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H19BrClNO5S/c1-15-13-19(9-12-21(15)23)30-14-22(26)25(17-5-7-18(29-2)8-6-17)31(27,28)20-10-3-16(24)4-11-20/h3-13H,14H2,1-2H3
InChIKeyVXVRLXKDNKHOPX-UHFFFAOYSA-N
XLogP5.22
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.82
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19217451
2-(2-bromo-4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19220025
N-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19219172
N-(benzenesulfonyl)-2-(4-bromo-3-methylphenoxy)-N-(4-ethoxyphenyl)acetamide
CID 19217988
2-(2-bromo-4-propylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19219952
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19219911
2-(2-tert-butyl-4-methylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19217723
N-(benzenesulfonyl)-2-(4-bromo-2,6-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19218435
2-(2-tert-butylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19217758
N-(benzenesulfonyl)-2-(2,5-dichlorophenoxy)-N-(4-methoxyphenyl)acetamide
CID 19217653
N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-phenylacetamide
CID 19217409
N-(4-ethoxyphenyl)-2-(3-methoxyphenoxy)-N-(4-methylphenyl)sulfonylacetamide
CID 19220163

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-bromo-3-methylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide (CID 19217990) is 2-(4-bromo-3-methylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-3-methylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-3-methylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide is COc1ccc(N(C(=O)COc2ccc(Br)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-bromo-3-methylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide?
The InChIKey is VXVRLXKDNKHOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrClNO5S/c1-15-13-19(9-12-21(15)23)30-14-22(26)25(17-5-7-18(29-2)8-6-17)31(27,28)20-10-3-16(24)4-11-20/h3-13H,14H2,1-2H3.
What are the key properties of 2-(4-bromo-3-methylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide?
2-(4-bromo-3-methylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide has a molecular weight of 524.82 g/mol, XLogP of 5.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 19217990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).