2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(2-ethoxyphenyl)methyl]acetamide

C23H23BrN2O4S — CID 30304171

IUPAC2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(2-ethoxyphenyl)methyl]acetamide
SMILESCCOc1ccccc1CNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H23BrN2O4S/c1-2-30-22-14-7-6-9-18(22)16-25-23(27)17-26(20-11-8-10-19(24)15-20)31(28,29)21-12-4-3-5-13-21/h3-15H,2,16-17H2,1H3,(H,25,27)
InChIKeyQGQRGABGSJAPIW-UHFFFAOYSA-N
MW503.42 g/mol
LogP4.36
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(2-ethoxyphenyl)methyl]acetamide

2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(2-ethoxyphenyl)methyl]acetamide (PubChem CID 30304171) has the molecular formula C23H23BrN2O4S and a molecular weight of 503.42 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(2-ethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(2-ethoxyphenyl)methyl]acetamide
PubChem CID30304171
Molecular FormulaC23H23BrN2O4S
Molecular Weight503.42 g/mol
Exact Mass502.06
IUPAC Name2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(2-ethoxyphenyl)methyl]acetamide
SMILESCCOc1ccccc1CNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H23BrN2O4S/c1-2-30-22-14-7-6-9-18(22)16-25-23(27)17-26(20-11-8-10-19(24)15-20)31(28,29)21-12-4-3-5-13-21/h3-15H,2,16-17H2,1H3,(H,25,27)
InChIKeyQGQRGABGSJAPIW-UHFFFAOYSA-N
XLogP4.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(2-ethoxyphenyl)methyl]acetamide
CID 30303626
N-[(2-ethoxyphenyl)methyl]-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30273782
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 1339603
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-ethoxyphenyl)acetamide
CID 1361638
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(2-ethylphenyl)acetamide
CID 30169534
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 30304187
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 1107731
N-[(2-methoxyphenyl)methyl]-2-(N-(3-methylphenyl)sulfonylanilino)acetamide
CID 26564448
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(2-ethoxyphenyl)methyl]acetamide
CID 30273811
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(2-ethoxyphenyl)methyl]acetamide
CID 46769210
2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(2-ethoxyphenyl)methyl]acetamide
CID 99943384
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(2-ethoxyphenyl)methyl]acetamide
CID 38009374

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(2-ethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(2-ethoxyphenyl)methyl]acetamide (CID 30304171) is 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(2-ethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(2-ethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(2-ethoxyphenyl)methyl]acetamide is CCOc1ccccc1CNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(2-ethoxyphenyl)methyl]acetamide?
The InChIKey is QGQRGABGSJAPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O4S/c1-2-30-22-14-7-6-9-18(22)16-25-23(27)17-26(20-11-8-10-19(24)15-20)31(28,29)21-12-4-3-5-13-21/h3-15H,2,16-17H2,1H3,(H,25,27).
What are the key properties of 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(2-ethoxyphenyl)methyl]acetamide?
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(2-ethoxyphenyl)methyl]acetamide has a molecular weight of 503.42 g/mol, XLogP of 4.36, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(2-ethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 30304171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).