N-(benzenesulfonyl)-2-(4-bromo-3-methylphenoxy)-N-(4-ethoxyphenyl)acetamide

C23H22BrNO5S — CID 19217988

IUPACN-(benzenesulfonyl)-2-(4-bromo-3-methylphenoxy)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(N(C(=O)COc2ccc(Br)c(C)c2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H22BrNO5S/c1-3-29-19-11-9-18(10-12-19)25(31(27,28)21-7-5-4-6-8-21)23(26)16-30-20-13-14-22(24)17(2)15-20/h4-15H,3,16H2,1-2H3
InChIKeyVNMUUSXOOWSCMQ-UHFFFAOYSA-N
MW504.40 g/mol
LogP4.96
Rot. Bonds8

About N-(benzenesulfonyl)-2-(4-bromo-3-methylphenoxy)-N-(4-ethoxyphenyl)acetamide

N-(benzenesulfonyl)-2-(4-bromo-3-methylphenoxy)-N-(4-ethoxyphenyl)acetamide (PubChem CID 19217988) has the molecular formula C23H22BrNO5S and a molecular weight of 504.40 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-(4-bromo-3-methylphenoxy)-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-(4-bromo-3-methylphenoxy)-N-(4-ethoxyphenyl)acetamide
PubChem CID19217988
Molecular FormulaC23H22BrNO5S
Molecular Weight504.40 g/mol
Exact Mass503.04
IUPAC NameN-(benzenesulfonyl)-2-(4-bromo-3-methylphenoxy)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(N(C(=O)COc2ccc(Br)c(C)c2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H22BrNO5S/c1-3-29-19-11-9-18(10-12-19)25(31(27,28)21-7-5-4-6-8-21)23(26)16-30-20-13-14-22(24)17(2)15-20/h4-15H,3,16H2,1-2H3
InChIKeyVNMUUSXOOWSCMQ-UHFFFAOYSA-N
XLogP4.96
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.40
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(benzenesulfonyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 19212675
2-(4-bromo-3-methylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19217990
N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-phenylacetamide
CID 19217409
N-(4-ethoxyphenyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide
CID 19212681
N-(benzenesulfonyl)-N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 19217557
N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(4-methylphenoxy)acetamide
CID 19212677
N-(4-ethoxyphenyl)-2-(3-methoxyphenoxy)-N-(4-methylphenyl)sulfonylacetamide
CID 19220163
N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide
CID 19212618
N-(benzenesulfonyl)-2-(4-bromo-2,6-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19218435
N-(benzenesulfonyl)-2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)acetamide
CID 19217513
N-(benzenesulfonyl)-2-(2,4-dibromophenoxy)-N-(4-methoxyphenyl)acetamide
CID 19217315
N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19219983

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-(4-bromo-3-methylphenoxy)-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of N-(benzenesulfonyl)-2-(4-bromo-3-methylphenoxy)-N-(4-ethoxyphenyl)acetamide (CID 19217988) is N-(benzenesulfonyl)-2-(4-bromo-3-methylphenoxy)-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-(4-bromo-3-methylphenoxy)-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for N-(benzenesulfonyl)-2-(4-bromo-3-methylphenoxy)-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(N(C(=O)COc2ccc(Br)c(C)c2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(benzenesulfonyl)-2-(4-bromo-3-methylphenoxy)-N-(4-ethoxyphenyl)acetamide?
The InChIKey is VNMUUSXOOWSCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrNO5S/c1-3-29-19-11-9-18(10-12-19)25(31(27,28)21-7-5-4-6-8-21)23(26)16-30-20-13-14-22(24)17(2)15-20/h4-15H,3,16H2,1-2H3.
What are the key properties of N-(benzenesulfonyl)-2-(4-bromo-3-methylphenoxy)-N-(4-ethoxyphenyl)acetamide?
N-(benzenesulfonyl)-2-(4-bromo-3-methylphenoxy)-N-(4-ethoxyphenyl)acetamide has a molecular weight of 504.40 g/mol, XLogP of 4.96, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-(4-bromo-3-methylphenoxy)-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 19217988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).