2-(4-bromo-N-methylsulfonylanilino)-N-[(3-ethoxyphenyl)methyl]acetamide

C18H21BrN2O4S — CID 46770314

IUPAC2-(4-bromo-N-methylsulfonylanilino)-N-[(3-ethoxyphenyl)methyl]acetamide
SMILESCCOc1cccc(CNC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H21BrN2O4S/c1-3-25-17-6-4-5-14(11-17)12-20-18(22)13-21(26(2,23)24)16-9-7-15(19)8-10-16/h4-11H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyXLMBQDKVASHIDI-UHFFFAOYSA-N
MW441.35 g/mol
LogP2.93
Rot. Bonds8

About 2-(4-bromo-N-methylsulfonylanilino)-N-[(3-ethoxyphenyl)methyl]acetamide

2-(4-bromo-N-methylsulfonylanilino)-N-[(3-ethoxyphenyl)methyl]acetamide (PubChem CID 46770314) has the molecular formula C18H21BrN2O4S and a molecular weight of 441.35 g/mol. Its IUPAC name is 2-(4-bromo-N-methylsulfonylanilino)-N-[(3-ethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-N-methylsulfonylanilino)-N-[(3-ethoxyphenyl)methyl]acetamide
PubChem CID46770314
Molecular FormulaC18H21BrN2O4S
Molecular Weight441.35 g/mol
Exact Mass440.04
IUPAC Name2-(4-bromo-N-methylsulfonylanilino)-N-[(3-ethoxyphenyl)methyl]acetamide
SMILESCCOc1cccc(CNC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H21BrN2O4S/c1-3-25-17-6-4-5-14(11-17)12-20-18(22)13-21(26(2,23)24)16-9-7-15(19)8-10-16/h4-11H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyXLMBQDKVASHIDI-UHFFFAOYSA-N
XLogP2.93
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-N-methylsulfonylanilino)-N-[(3,4-diethoxyphenyl)methyl]acetamide
CID 30219944
N-[(3-ethoxyphenyl)methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30273764
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(3-ethoxyphenyl)methyl]acetamide
CID 30304403
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(3-ethoxyphenyl)methyl]acetamide
CID 99950546
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 30306762
N-[(3-ethoxyphenyl)methyl]-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 30398538
N-benzyl-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 1050013
2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 30219413
2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 43916325
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 53280775
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 43894148
2-(dipropylamino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 87016214

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-N-methylsulfonylanilino)-N-[(3-ethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-bromo-N-methylsulfonylanilino)-N-[(3-ethoxyphenyl)methyl]acetamide (CID 46770314) is 2-(4-bromo-N-methylsulfonylanilino)-N-[(3-ethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-bromo-N-methylsulfonylanilino)-N-[(3-ethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-bromo-N-methylsulfonylanilino)-N-[(3-ethoxyphenyl)methyl]acetamide is CCOc1cccc(CNC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(4-bromo-N-methylsulfonylanilino)-N-[(3-ethoxyphenyl)methyl]acetamide?
The InChIKey is XLMBQDKVASHIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O4S/c1-3-25-17-6-4-5-14(11-17)12-20-18(22)13-21(26(2,23)24)16-9-7-15(19)8-10-16/h4-11H,3,12-13H2,1-2H3,(H,20,22).
What are the key properties of 2-(4-bromo-N-methylsulfonylanilino)-N-[(3-ethoxyphenyl)methyl]acetamide?
2-(4-bromo-N-methylsulfonylanilino)-N-[(3-ethoxyphenyl)methyl]acetamide has a molecular weight of 441.35 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-N-methylsulfonylanilino)-N-[(3-ethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 46770314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).