2-(1-bromonaphthalen-2-yl)oxy-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide

C22H23BrN2O4S — CID 24581585

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NC(=O)COc2ccc3ccccc3c2Br)c1C
InChIInChI=1S/C22H23BrN2O4S/c1-14-11-17(30(27,28)25(3)4)12-19(15(14)2)24-21(26)13-29-20-10-9-16-7-5-6-8-18(16)22(20)23/h5-12H,13H2,1-4H3,(H,24,26)
InChIKeyLQSAMJVDOGLSMS-UHFFFAOYSA-N
MW491.41 g/mol
LogP4.49
Rot. Bonds6

About 2-(1-bromonaphthalen-2-yl)oxy-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide

2-(1-bromonaphthalen-2-yl)oxy-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide (PubChem CID 24581585) has the molecular formula C22H23BrN2O4S and a molecular weight of 491.41 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
PubChem CID24581585
Molecular FormulaC22H23BrN2O4S
Molecular Weight491.41 g/mol
Exact Mass490.06
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NC(=O)COc2ccc3ccccc3c2Br)c1C
InChIInChI=1S/C22H23BrN2O4S/c1-14-11-17(30(27,28)25(3)4)12-19(15(14)2)24-21(26)13-29-20-10-9-16-7-5-6-8-18(16)22(20)23/h5-12H,13H2,1-4H3,(H,24,26)
InChIKeyLQSAMJVDOGLSMS-UHFFFAOYSA-N
XLogP4.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.41
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-bromonaphthalen-2-yl)oxy-N-(2,3-dimethylphenyl)acetamide
CID 1299627
N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide
CID 1300372
2-(1-bromonaphthalen-2-yl)oxy-N-(2-chlorophenyl)acetamide
CID 1010729
N-[3-acetyl-4-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]phenyl]butanamide
CID 24581992
methyl 2-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]-4-methoxybenzoate
CID 24581952
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 7642319
2-(1-bromonaphthalen-2-yl)oxy-N-(4-ethylsulfonylphenyl)acetamide
CID 37027688
2-(2-bromophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 4795217
2-(1-bromonaphthalen-2-yl)oxy-N-(2-chloro-4-fluorophenyl)acetamide
CID 7642313
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-naphthalen-2-yloxyacetamide
CID 26205520
2-(1-bromonaphthalen-2-yl)oxy-N-(4-sulfamoylphenyl)acetamide
CID 1186575
2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 24582148

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide (CID 24581585) is 2-(1-bromonaphthalen-2-yl)oxy-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide is Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)COc2ccc3ccccc3c2Br)c1C.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide?
The InChIKey is LQSAMJVDOGLSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN2O4S/c1-14-11-17(30(27,28)25(3)4)12-19(15(14)2)24-21(26)13-29-20-10-9-16-7-5-6-8-18(16)22(20)23/h5-12H,13H2,1-4H3,(H,24,26).
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide?
2-(1-bromonaphthalen-2-yl)oxy-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide has a molecular weight of 491.41 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxy-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide is sourced from PubChem (CID 24581585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).