N-(4-iodo-2-methylphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide

C28H25IN2O4S — CID 126415460

IUPACN-(4-iodo-2-methylphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(I)cc2C)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C28H25IN2O4S/c1-20-8-15-26(16-9-20)36(33,34)31(19-28(32)30-27-17-10-22(29)18-21(27)2)23-11-13-25(14-12-23)35-24-6-4-3-5-7-24/h3-18H,19H2,1-2H3,(H,30,32)
InChIKeyCJWYBHCBPMGZCQ-UHFFFAOYSA-N
MW612.49 g/mol
LogP6.53
Rot. Bonds8

About N-(4-iodo-2-methylphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide

N-(4-iodo-2-methylphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide (PubChem CID 126415460) has the molecular formula C28H25IN2O4S and a molecular weight of 612.49 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide
PubChem CID126415460
Molecular FormulaC28H25IN2O4S
Molecular Weight612.49 g/mol
Exact Mass612.06
IUPAC NameN-(4-iodo-2-methylphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(I)cc2C)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C28H25IN2O4S/c1-20-8-15-26(16-9-20)36(33,34)31(19-28(32)30-27-17-10-22(29)18-21(27)2)23-11-13-25(14-12-23)35-24-6-4-3-5-7-24/h3-18H,19H2,1-2H3,(H,30,32)
InChIKeyCJWYBHCBPMGZCQ-UHFFFAOYSA-N
XLogP6.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.49
LogP ≤ 56.53
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-phenoxyanilino]-N-(2-methylphenyl)acetamide
CID 1262151
N-(4-iodo-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1210644
2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide
CID 4997215
2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)-N-(2-phenylphenyl)acetamide
CID 126415624
N-(5-chloro-2-phenoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide
CID 4565026
N-(2,4-dimethylphenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 1372368
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-iodo-2-methylphenyl)acetamide
CID 126129112
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide
CID 43899916
N-(2,4-dimethylphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1334839
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(4-iodo-2-methylphenyl)acetamide
CID 1317158
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(4-iodo-2-methylphenyl)acetamide
CID 126190406
N-(2,4-dimethylphenyl)-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 3139283

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide (CID 126415460) is N-(4-iodo-2-methylphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(I)cc2C)c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide?
The InChIKey is CJWYBHCBPMGZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25IN2O4S/c1-20-8-15-26(16-9-20)36(33,34)31(19-28(32)30-27-17-10-22(29)18-21(27)2)23-11-13-25(14-12-23)35-24-6-4-3-5-7-24/h3-18H,19H2,1-2H3,(H,30,32).
What are the key properties of N-(4-iodo-2-methylphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide?
N-(4-iodo-2-methylphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide has a molecular weight of 612.49 g/mol, XLogP of 6.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide is sourced from PubChem (CID 126415460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).