N-(2-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide

C21H19BrN2O4S — CID 1097920

IUPACN-(2-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1Br)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H19BrN2O4S/c1-29(26,27)24(15-21(25)23-20-10-6-5-9-19(20)22)16-11-13-18(14-12-16)28-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,23,25)
InChIKeyVMWMEXLGICYTFA-UHFFFAOYSA-N
MW475.36 g/mol
LogP4.65
Rot. Bonds7

About N-(2-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide

N-(2-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide (PubChem CID 1097920) has the molecular formula C21H19BrN2O4S and a molecular weight of 475.36 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
PubChem CID1097920
Molecular FormulaC21H19BrN2O4S
Molecular Weight475.36 g/mol
Exact Mass474.02
IUPAC NameN-(2-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1Br)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H19BrN2O4S/c1-29(26,27)24(15-21(25)23-20-10-6-5-9-19(20)22)16-11-13-18(14-12-16)28-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,23,25)
InChIKeyVMWMEXLGICYTFA-UHFFFAOYSA-N
XLogP4.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.36
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1105792
N-(4-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1356960
N-(3-chloro-2-methylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1352948
2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-phenylsulfanylphenyl)acetamide
CID 21372798
N-(4-bromo-3-methylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 2281663
N-(4-acetamidophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1319046
2-(4-iodo-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 23968246
2-(N-methylsulfonyl-4-phenoxyanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 126035382
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-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 133243120
N-[(2S)-3-methylbutan-2-yl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 100563560

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide (CID 1097920) is N-(2-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccccc1Br)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-(2-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
The InChIKey is VMWMEXLGICYTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O4S/c1-29(26,27)24(15-21(25)23-20-10-6-5-9-19(20)22)16-11-13-18(14-12-16)28-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,23,25).
What are the key properties of N-(2-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
N-(2-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide has a molecular weight of 475.36 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide is sourced from PubChem (CID 1097920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).