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

C17H18ClN3O7S — CID 35139385

IUPAC2-(2-chloro-4-nitrophenoxy)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H18ClN3O7S/c1-20(2)29(25,26)16-8-11(4-6-15(16)27-3)19-17(22)10-28-14-7-5-12(21(23)24)9-13(14)18/h4-9H,10H2,1-3H3,(H,19,22)
InChIKeyGVQWYSVFSOOXLF-UHFFFAOYSA-N
MW443.87 g/mol
LogP2.52
Rot. Bonds8

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

2-(2-chloro-4-nitrophenoxy)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide (PubChem CID 35139385) has the molecular formula C17H18ClN3O7S and a molecular weight of 443.87 g/mol. Its IUPAC name is 2-(2-chloro-4-nitrophenoxy)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-nitrophenoxy)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
PubChem CID35139385
Molecular FormulaC17H18ClN3O7S
Molecular Weight443.87 g/mol
Exact Mass443.06
IUPAC Name2-(2-chloro-4-nitrophenoxy)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H18ClN3O7S/c1-20(2)29(25,26)16-8-11(4-6-15(16)27-3)19-17(22)10-28-14-7-5-12(21(23)24)9-13(14)18/h4-9H,10H2,1-3H3,(H,19,22)
InChIKeyGVQWYSVFSOOXLF-UHFFFAOYSA-N
XLogP2.52
TPSA128.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.87
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-chloro-4-nitrophenoxy)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-5-nitrobenzamide
CID 9106447
2-(2-chloro-4-nitrophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 8587877
N-(5-acetamido-2-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 8587959
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(3-nitroanilino)acetamide
CID 46537107
N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 2513315
2-(2-chloro-4-nitrophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 2513285
N-(3-acetylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 2513244
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18166231
2-(2,4-dichlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2500700
2-(2,4-dichlorophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 2903084
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 9109103
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931678

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide?
The IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide (CID 35139385) is 2-(2-chloro-4-nitrophenoxy)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-nitrophenoxy)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-nitrophenoxy)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide is COc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-(2-chloro-4-nitrophenoxy)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide?
The InChIKey is GVQWYSVFSOOXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O7S/c1-20(2)29(25,26)16-8-11(4-6-15(16)27-3)19-17(22)10-28-14-7-5-12(21(23)24)9-13(14)18/h4-9H,10H2,1-3H3,(H,19,22).
What are the key properties of 2-(2-chloro-4-nitrophenoxy)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide?
2-(2-chloro-4-nitrophenoxy)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide has a molecular weight of 443.87 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-nitrophenoxy)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide is sourced from PubChem (CID 35139385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).