2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-ethylphenyl)acetamide

C22H21IN2O3S — CID 126123586

IUPAC2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H21IN2O3S/c1-2-17-8-6-7-11-21(17)24-22(26)16-25(19-14-12-18(23)13-15-19)29(27,28)20-9-4-3-5-10-20/h3-15H,2,16H2,1H3,(H,24,26)
InChIKeyLFCPJCNNNPJXTM-UHFFFAOYSA-N
MW520.39 g/mol
LogP4.69
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-ethylphenyl)acetamide

2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-ethylphenyl)acetamide (PubChem CID 126123586) has the molecular formula C22H21IN2O3S and a molecular weight of 520.39 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-ethylphenyl)acetamide
PubChem CID126123586
Molecular FormulaC22H21IN2O3S
Molecular Weight520.39 g/mol
Exact Mass520.03
IUPAC Name2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H21IN2O3S/c1-2-17-8-6-7-11-21(17)24-22(26)16-25(19-14-12-18(23)13-15-19)29(27,28)20-9-4-3-5-10-20/h3-15H,2,16H2,1H3,(H,24,26)
InChIKeyLFCPJCNNNPJXTM-UHFFFAOYSA-N
XLogP4.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.39
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-ethylphenyl)acetamide
CID 30169297
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-ethoxyphenyl)acetamide
CID 126123006
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(2-ethylphenyl)acetamide
CID 30169534
2-[[2-[N-(benzenesulfonyl)-4-iodoanilino]acetyl]amino]-N-[(2S)-butan-2-yl]benzamide
CID 126185703
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-ethylphenyl)acetamide
CID 30258733
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-ethylphenyl)acetamide
CID 1095217
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(2-ethylphenyl)acetamide
CID 1098076
N-(2-ethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 846890
N-(2-ethylphenyl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1260792
2-[[2-[N-(benzenesulfonyl)-4-iodoanilino]acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 126182722
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(4-ethoxyphenyl)acetamide
CID 126134483
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-(2-methylphenyl)acetamide
CID 4052421

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-ethylphenyl)acetamide (CID 126123586) is 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-ethylphenyl)acetamide?
The InChIKey is LFCPJCNNNPJXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21IN2O3S/c1-2-17-8-6-7-11-21(17)24-22(26)16-25(19-14-12-18(23)13-15-19)29(27,28)20-9-4-3-5-10-20/h3-15H,2,16H2,1H3,(H,24,26).
What are the key properties of 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-ethylphenyl)acetamide?
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-ethylphenyl)acetamide has a molecular weight of 520.39 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 126123586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).