2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(3-bromophenyl)acetamide

C22H21BrN2O4S — CID 30128918

IUPAC2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(3-bromophenyl)acetamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C22H21BrN2O4S/c1-30(27,28)25(15-17-6-3-2-4-7-17)20-10-12-21(13-11-20)29-16-22(26)24-19-9-5-8-18(23)14-19/h2-14H,15-16H2,1H3,(H,24,26)
InChIKeyHMFVZBVWFZBTQR-UHFFFAOYSA-N
MW489.39 g/mol
LogP4.43
Rot. Bonds8

About 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(3-bromophenyl)acetamide

2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(3-bromophenyl)acetamide (PubChem CID 30128918) has the molecular formula C22H21BrN2O4S and a molecular weight of 489.39 g/mol. Its IUPAC name is 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(3-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(3-bromophenyl)acetamide
PubChem CID30128918
Molecular FormulaC22H21BrN2O4S
Molecular Weight489.39 g/mol
Exact Mass488.04
IUPAC Name2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(3-bromophenyl)acetamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C22H21BrN2O4S/c1-30(27,28)25(15-17-6-3-2-4-7-17)20-10-12-21(13-11-20)29-16-22(26)24-19-9-5-8-18(23)14-19/h2-14H,15-16H2,1H3,(H,24,26)
InChIKeyHMFVZBVWFZBTQR-UHFFFAOYSA-N
XLogP4.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.39
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(3-nitrophenyl)acetamide
CID 30129033
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 30128970
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide
CID 30129148
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(2-methylsulfanylphenyl)acetamide
CID 30129121
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(2,5-dichlorophenyl)acetamide
CID 30128942
N-(3-acetylphenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30130872
N-(3-acetamidophenyl)-2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247460
N-(3-bromophenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 1082278
N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30129821
2-(4-bromophenoxy)-N-(3-bromophenyl)acetamide
CID 2631877
2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide
CID 1021180
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(3-methylbutyl)acetamide
CID 30129108

Frequently Asked Questions

What is the IUPAC name of 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(3-bromophenyl)acetamide?
The IUPAC name of 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(3-bromophenyl)acetamide (CID 30128918) is 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(3-bromophenyl)acetamide.
What is the SMILES notation for 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(3-bromophenyl)acetamide?
The canonical SMILES for 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(3-bromophenyl)acetamide is CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)Nc2cccc(Br)c2)cc1.
What is the InChIKey of 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(3-bromophenyl)acetamide?
The InChIKey is HMFVZBVWFZBTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O4S/c1-30(27,28)25(15-17-6-3-2-4-7-17)20-10-12-21(13-11-20)29-16-22(26)24-19-9-5-8-18(23)14-19/h2-14H,15-16H2,1H3,(H,24,26).
What are the key properties of 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(3-bromophenyl)acetamide?
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(3-bromophenyl)acetamide has a molecular weight of 489.39 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(3-bromophenyl)acetamide is sourced from PubChem (CID 30128918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).