N-(benzenesulfonyl)-2-(3-bromophenoxy)-N-(2,3-dimethylphenyl)acetamide

C22H20BrNO4S — CID 19218031

IUPACN-(benzenesulfonyl)-2-(3-bromophenoxy)-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(N(C(=O)COc2cccc(Br)c2)S(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C22H20BrNO4S/c1-16-8-6-13-21(17(16)2)24(29(26,27)20-11-4-3-5-12-20)22(25)15-28-19-10-7-9-18(23)14-19/h3-14H,15H2,1-2H3
InChIKeyQBFGZCVRFCFFAJ-UHFFFAOYSA-N
MW474.38 g/mol
LogP4.87
Rot. Bonds6

About N-(benzenesulfonyl)-2-(3-bromophenoxy)-N-(2,3-dimethylphenyl)acetamide

N-(benzenesulfonyl)-2-(3-bromophenoxy)-N-(2,3-dimethylphenyl)acetamide (PubChem CID 19218031) has the molecular formula C22H20BrNO4S and a molecular weight of 474.38 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-(3-bromophenoxy)-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-(3-bromophenoxy)-N-(2,3-dimethylphenyl)acetamide
PubChem CID19218031
Molecular FormulaC22H20BrNO4S
Molecular Weight474.38 g/mol
Exact Mass473.03
IUPAC NameN-(benzenesulfonyl)-2-(3-bromophenoxy)-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(N(C(=O)COc2cccc(Br)c2)S(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C22H20BrNO4S/c1-16-8-6-13-21(17(16)2)24(29(26,27)20-11-4-3-5-12-20)22(25)15-28-19-10-7-9-18(23)14-19/h3-14H,15H2,1-2H3
InChIKeyQBFGZCVRFCFFAJ-UHFFFAOYSA-N
XLogP4.87
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.38
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-(3-methylphenoxy)butanamide
CID 19218726
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-phenoxybutanamide
CID 19218618
2-(2,6-dimethylphenoxy)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19217830
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-phenylpropanamide
CID 19210498
N-(benzenesulfonyl)-2-(4-bromo-3-methylphenoxy)-N-(4-ethoxyphenyl)acetamide
CID 19217988
N-(benzenesulfonyl)-2-bromo-N-(2,3-dimethylphenyl)benzamide
CID 19210750
N-(benzenesulfonyl)-2-(2,6-dimethylphenoxy)-N-phenylacetamide
CID 19217816
N-(benzenesulfonyl)-N-(2,5-dimethylphenyl)-2-(4-phenylphenoxy)acetamide
CID 19217899
N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 19217425
N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-phenylacetamide
CID 19217409
N-(benzenesulfonyl)-2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19218157
N-(benzenesulfonyl)-2-(4-bromo-2,6-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19218435

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-(3-bromophenoxy)-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of N-(benzenesulfonyl)-2-(3-bromophenoxy)-N-(2,3-dimethylphenyl)acetamide (CID 19218031) is N-(benzenesulfonyl)-2-(3-bromophenoxy)-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-(3-bromophenoxy)-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for N-(benzenesulfonyl)-2-(3-bromophenoxy)-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(N(C(=O)COc2cccc(Br)c2)S(=O)(=O)c2ccccc2)c1C.
What is the InChIKey of N-(benzenesulfonyl)-2-(3-bromophenoxy)-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is QBFGZCVRFCFFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrNO4S/c1-16-8-6-13-21(17(16)2)24(29(26,27)20-11-4-3-5-12-20)22(25)15-28-19-10-7-9-18(23)14-19/h3-14H,15H2,1-2H3.
What are the key properties of N-(benzenesulfonyl)-2-(3-bromophenoxy)-N-(2,3-dimethylphenyl)acetamide?
N-(benzenesulfonyl)-2-(3-bromophenoxy)-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 474.38 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-(3-bromophenoxy)-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 19218031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).