N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-iodoanilino)acetamide

C17H20IN3O4S — CID 24658780

IUPACN-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-iodoanilino)acetamide
SMILESCOc1ccc(NC(=O)CNc2ccccc2I)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H20IN3O4S/c1-21(2)26(23,24)16-10-12(8-9-15(16)25-3)20-17(22)11-19-14-7-5-4-6-13(14)18/h4-10,19H,11H2,1-3H3,(H,20,22)
InChIKeySWHFKPZAKJIATG-UHFFFAOYSA-N
MW489.34 g/mol
LogP2.60
Rot. Bonds7

About N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-iodoanilino)acetamide

N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-iodoanilino)acetamide (PubChem CID 24658780) has the molecular formula C17H20IN3O4S and a molecular weight of 489.34 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-iodoanilino)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-iodoanilino)acetamide
PubChem CID24658780
Molecular FormulaC17H20IN3O4S
Molecular Weight489.34 g/mol
Exact Mass489.02
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-iodoanilino)acetamide
SMILESCOc1ccc(NC(=O)CNc2ccccc2I)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H20IN3O4S/c1-21(2)26(23,24)16-10-12(8-9-15(16)25-3)20-17(22)11-19-14-7-5-4-6-13(14)18/h4-10,19H,11H2,1-3H3,(H,20,22)
InChIKeySWHFKPZAKJIATG-UHFFFAOYSA-N
XLogP2.60
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 55535495
2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
CID 55470342
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 9109103
4-chloro-2-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 55898309
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(3-nitroanilino)acetamide
CID 46537107
2-(2-iodoanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 26506643
N-(3,5-dimethoxyphenyl)-2-(2-iodoanilino)acetamide
CID 26506677
4-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 55918830
N-[2-[[3-(dimethylsulfamoyl)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 30661239
3-(2,3-dimethoxyphenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]propanamide
CID 9020974
N-(4-chlorophenyl)-2-[5-(dimethylsulfamoyl)-2-methoxyanilino]acetamide
CID 55345430
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 9106438

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-iodoanilino)acetamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-iodoanilino)acetamide (CID 24658780) is N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-iodoanilino)acetamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-iodoanilino)acetamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-iodoanilino)acetamide is COc1ccc(NC(=O)CNc2ccccc2I)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-iodoanilino)acetamide?
The InChIKey is SWHFKPZAKJIATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20IN3O4S/c1-21(2)26(23,24)16-10-12(8-9-15(16)25-3)20-17(22)11-19-14-7-5-4-6-13(14)18/h4-10,19H,11H2,1-3H3,(H,20,22).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-iodoanilino)acetamide?
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-iodoanilino)acetamide has a molecular weight of 489.34 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-iodoanilino)acetamide is sourced from PubChem (CID 24658780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).