N-(4-bromo-3-methylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide

C22H21BrN2O4S — CID 2281663

IUPACN-(4-bromo-3-methylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
SMILESCc1cc(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)ccc1Br
InChIInChI=1S/C22H21BrN2O4S/c1-16-14-17(8-13-21(16)23)24-22(26)15-25(30(2,27)28)18-9-11-20(12-10-18)29-19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,24,26)
InChIKeyWQUUJEYGFDNUPN-UHFFFAOYSA-N
MW489.39 g/mol
LogP4.95
Rot. Bonds7

About N-(4-bromo-3-methylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide

N-(4-bromo-3-methylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide (PubChem CID 2281663) has the molecular formula C22H21BrN2O4S and a molecular weight of 489.39 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
PubChem CID2281663
Molecular FormulaC22H21BrN2O4S
Molecular Weight489.39 g/mol
Exact Mass488.04
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
SMILESCc1cc(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)ccc1Br
InChIInChI=1S/C22H21BrN2O4S/c1-16-14-17(8-13-21(16)23)24-22(26)15-25(30(2,27)28)18-9-11-20(12-10-18)29-19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,24,26)
InChIKeyWQUUJEYGFDNUPN-UHFFFAOYSA-N
XLogP4.95
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.39
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1356960
N-(4-acetamidophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1319046
2-(4-iodo-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 23968246
N-(2-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1097920
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 1362820
2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 1295562
N-(4-bromo-3-methylphenyl)-2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetamide
CID 1338903
N-(4-phenoxyphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30260344
2-(N-methylsulfonyl-4-phenoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 30169097
2-(2-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 8574795
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide
CID 126378158
N-(4-bromo-3-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 2282025

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide (CID 2281663) is N-(4-bromo-3-methylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide is Cc1cc(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
The InChIKey is WQUUJEYGFDNUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O4S/c1-16-14-17(8-13-21(16)23)24-22(26)15-25(30(2,27)28)18-9-11-20(12-10-18)29-19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,24,26).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
N-(4-bromo-3-methylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide has a molecular weight of 489.39 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide is sourced from PubChem (CID 2281663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).