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

C22H21IN2O4S — CID 126123006

IUPAC2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H21IN2O4S/c1-2-29-21-11-7-6-10-20(21)24-22(26)16-25(18-14-12-17(23)13-15-18)30(27,28)19-8-4-3-5-9-19/h3-15H,2,16H2,1H3,(H,24,26)
InChIKeyLWOBNVLFWVXHDX-UHFFFAOYSA-N
MW536.39 g/mol
LogP4.52
Rot. Bonds8

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

2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-ethoxyphenyl)acetamide (PubChem CID 126123006) has the molecular formula C22H21IN2O4S and a molecular weight of 536.39 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-ethoxyphenyl)acetamide
PubChem CID126123006
Molecular FormulaC22H21IN2O4S
Molecular Weight536.39 g/mol
Exact Mass536.03
IUPAC Name2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H21IN2O4S/c1-2-29-21-11-7-6-10-20(21)24-22(26)16-25(18-14-12-17(23)13-15-18)30(27,28)19-8-4-3-5-9-19/h3-15H,2,16H2,1H3,(H,24,26)
InChIKeyLWOBNVLFWVXHDX-UHFFFAOYSA-N
XLogP4.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.39
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[N-(benzenesulfonyl)anilino]-N-(2-ethoxyphenyl)acetamide
CID 1095152
N-(2-ethoxyphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1098081
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-ethylphenyl)acetamide
CID 126123586
N-(2-ethoxyphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1095185
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(4-ethoxyphenyl)acetamide
CID 126134483
N-(2-ethoxyphenyl)-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 1349588
N-(2-ethoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 1372189
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-(2-ethoxyphenyl)acetamide
CID 1016308
N-(2-ethoxyphenyl)-2-(4-methoxy-N-(3-methylphenyl)sulfonylanilino)acetamide
CID 2087980
N-(2-ethoxyphenyl)-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30259956
N-(2-ethoxyphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1105792
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(2-methoxyphenyl)acetamide
CID 53280206

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-ethoxyphenyl)acetamide (CID 126123006) is 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-ethoxyphenyl)acetamide?
The InChIKey is LWOBNVLFWVXHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21IN2O4S/c1-2-29-21-11-7-6-10-20(21)24-22(26)16-25(18-14-12-17(23)13-15-18)30(27,28)19-8-4-3-5-9-19/h3-15H,2,16H2,1H3,(H,24,26).
What are the key properties of 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-ethoxyphenyl)acetamide?
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-ethoxyphenyl)acetamide has a molecular weight of 536.39 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 126123006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).