2-[(3-bromophenyl)methylsulfonyl]-N-[2-(2-phenylethoxy)phenyl]acetamide

C23H22BrNO4S — CID 60531511

IUPAC2-[(3-bromophenyl)methylsulfonyl]-N-[2-(2-phenylethoxy)phenyl]acetamide
SMILESO=C(CS(=O)(=O)Cc1cccc(Br)c1)Nc1ccccc1OCCc1ccccc1
InChIInChI=1S/C23H22BrNO4S/c24-20-10-6-9-19(15-20)16-30(27,28)17-23(26)25-21-11-4-5-12-22(21)29-14-13-18-7-2-1-3-8-18/h1-12,15H,13-14,16-17H2,(H,25,26)
InChIKeyBJPFQJXZZRJNHD-UHFFFAOYSA-N
MW488.40 g/mol
LogP4.62
Rot. Bonds9

About 2-[(3-bromophenyl)methylsulfonyl]-N-[2-(2-phenylethoxy)phenyl]acetamide

2-[(3-bromophenyl)methylsulfonyl]-N-[2-(2-phenylethoxy)phenyl]acetamide (PubChem CID 60531511) has the molecular formula C23H22BrNO4S and a molecular weight of 488.40 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methylsulfonyl]-N-[2-(2-phenylethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methylsulfonyl]-N-[2-(2-phenylethoxy)phenyl]acetamide
PubChem CID60531511
Molecular FormulaC23H22BrNO4S
Molecular Weight488.40 g/mol
Exact Mass487.05
IUPAC Name2-[(3-bromophenyl)methylsulfonyl]-N-[2-(2-phenylethoxy)phenyl]acetamide
SMILESO=C(CS(=O)(=O)Cc1cccc(Br)c1)Nc1ccccc1OCCc1ccccc1
InChIInChI=1S/C23H22BrNO4S/c24-20-10-6-9-19(15-20)16-30(27,28)17-23(26)25-21-11-4-5-12-22(21)29-14-13-18-7-2-1-3-8-18/h1-12,15H,13-14,16-17H2,(H,25,26)
InChIKeyBJPFQJXZZRJNHD-UHFFFAOYSA-N
XLogP4.62
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.40
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[(3-bromophenyl)methylsulfonyl]acetyl]amino]-N-propan-2-ylbenzamide
CID 52741726
2-benzylsulfonyl-N-(2-methoxyphenyl)acetamide
CID 4306504
2-[(3-bromophenyl)methylsulfonyl]acetic acid
CID 24709843
2-[(3-bromophenyl)methylsulfonyl]-N-(4-methylphenyl)acetamide
CID 7731168
N-(2-aminoethyl)-2-[(3-bromophenyl)methylsulfonyl]acetamide
CID 119384113
2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 17131419
1-methyl-3-[2-(2-phenylethoxy)phenyl]urea
CID 47033729
N'-benzyl-2-[(3-bromophenyl)methylsulfonyl]-N'-phenylacetohydrazide
CID 60573595
2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfonyl-N-phenylacetamide
CID 1180425
2-(2-formylphenoxy)-N-[2-(2-phenylethoxy)phenyl]acetamide
CID 60513932
N-[2-(2-phenylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55675133
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(2-phenylethoxy)phenyl]acetamide
CID 38983455

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methylsulfonyl]-N-[2-(2-phenylethoxy)phenyl]acetamide?
The IUPAC name of 2-[(3-bromophenyl)methylsulfonyl]-N-[2-(2-phenylethoxy)phenyl]acetamide (CID 60531511) is 2-[(3-bromophenyl)methylsulfonyl]-N-[2-(2-phenylethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[(3-bromophenyl)methylsulfonyl]-N-[2-(2-phenylethoxy)phenyl]acetamide?
The canonical SMILES for 2-[(3-bromophenyl)methylsulfonyl]-N-[2-(2-phenylethoxy)phenyl]acetamide is O=C(CS(=O)(=O)Cc1cccc(Br)c1)Nc1ccccc1OCCc1ccccc1.
What is the InChIKey of 2-[(3-bromophenyl)methylsulfonyl]-N-[2-(2-phenylethoxy)phenyl]acetamide?
The InChIKey is BJPFQJXZZRJNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrNO4S/c24-20-10-6-9-19(15-20)16-30(27,28)17-23(26)25-21-11-4-5-12-22(21)29-14-13-18-7-2-1-3-8-18/h1-12,15H,13-14,16-17H2,(H,25,26).
What are the key properties of 2-[(3-bromophenyl)methylsulfonyl]-N-[2-(2-phenylethoxy)phenyl]acetamide?
2-[(3-bromophenyl)methylsulfonyl]-N-[2-(2-phenylethoxy)phenyl]acetamide has a molecular weight of 488.40 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methylsulfonyl]-N-[2-(2-phenylethoxy)phenyl]acetamide is sourced from PubChem (CID 60531511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).