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

C22H21IN2O4S — CID 126134483

IUPAC2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H21IN2O4S/c1-2-29-20-14-10-18(11-15-20)24-22(26)16-25(19-12-8-17(23)9-13-19)30(27,28)21-6-4-3-5-7-21/h3-15H,2,16H2,1H3,(H,24,26)
InChIKeyDVVUYGRNEFDNEA-UHFFFAOYSA-N
MW536.39 g/mol
LogP4.52
Rot. Bonds8

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

2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(4-ethoxyphenyl)acetamide (PubChem CID 126134483) has the molecular formula C22H21IN2O4S and a molecular weight of 536.39 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(4-ethoxyphenyl)acetamide
PubChem CID126134483
Molecular FormulaC22H21IN2O4S
Molecular Weight536.39 g/mol
Exact Mass536.03
IUPAC Name2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H21IN2O4S/c1-2-29-20-14-10-18(11-15-20)24-22(26)16-25(19-12-8-17(23)9-13-19)30(27,28)21-6-4-3-5-7-21/h3-15H,2,16H2,1H3,(H,24,26)
InChIKeyDVVUYGRNEFDNEA-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)-4-ethoxyanilino]-N-(4-phenoxyphenyl)acetamide
CID 30169662
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(4-chlorophenyl)acetamide
CID 1343150
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 1318540
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(3,5-dichlorophenyl)acetamide
CID 30169668
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(4-phenoxyphenyl)acetamide
CID 126386472
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-ethoxyphenyl)acetamide
CID 126123006
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-ethoxyphenyl)acetamide
CID 1361638
2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 43891751
N-(4-acetamidophenyl)-2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1302894
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-(4-ethoxyphenyl)acetamide
CID 2273103
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(4-ethoxyphenyl)acetamide
CID 1336528
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(4-ethoxyphenyl)acetamide
CID 1098100

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(4-ethoxyphenyl)acetamide (CID 126134483) is 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is DVVUYGRNEFDNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21IN2O4S/c1-2-29-20-14-10-18(11-15-20)24-22(26)16-25(19-12-8-17(23)9-13-19)30(27,28)21-6-4-3-5-7-21/h3-15H,2,16H2,1H3,(H,24,26).
What are the key properties of 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(4-ethoxyphenyl)acetamide?
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(4-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-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 126134483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).