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

C21H19BrN2O4S — CID 1356960

IUPACN-(4-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H19BrN2O4S/c1-29(26,27)24(15-21(25)23-17-9-7-16(22)8-10-17)18-11-13-20(14-12-18)28-19-5-3-2-4-6-19/h2-14H,15H2,1H3,(H,23,25)
InChIKeyXUDORFCHEDMPQK-UHFFFAOYSA-N
MW475.36 g/mol
LogP4.65
Rot. Bonds7

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

N-(4-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide (PubChem CID 1356960) has the molecular formula C21H19BrN2O4S and a molecular weight of 475.36 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
PubChem CID1356960
Molecular FormulaC21H19BrN2O4S
Molecular Weight475.36 g/mol
Exact Mass474.02
IUPAC NameN-(4-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H19BrN2O4S/c1-29(26,27)24(15-21(25)23-17-9-7-16(22)8-10-17)18-11-13-20(14-12-18)28-19-5-3-2-4-6-19/h2-14H,15H2,1H3,(H,23,25)
InChIKeyXUDORFCHEDMPQK-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-(4-acetamidophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1319046
2-(4-iodo-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 23968246
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 1362820
N-(4-bromo-3-methylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 2281663
N-(2-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1097920
N-(4-methoxyphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 1360894
methyl 4-[[2-(4-bromoanilino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 56539381
2-(2-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 8574795
2-(2-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 1363234
N-(4-phenoxyphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30260344
4-[[2-(4-bromoanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30259369
2-(N-methylsulfonyl-4-phenoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 30169097

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide (CID 1356960) is N-(4-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
The InChIKey is XUDORFCHEDMPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O4S/c1-29(26,27)24(15-21(25)23-17-9-7-16(22)8-10-17)18-11-13-20(14-12-18)28-19-5-3-2-4-6-19/h2-14H,15H2,1H3,(H,23,25).
What are the key properties of N-(4-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
N-(4-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-(4-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide is sourced from PubChem (CID 1356960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).