N-[4-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide

C16H17N3O6S — CID 1416689

IUPACN-[4-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H17N3O6S/c1-18(2)26(23,24)15-9-3-12(4-10-15)17-16(20)11-25-14-7-5-13(6-8-14)19(21)22/h3-10H,11H2,1-2H3,(H,17,20)
InChIKeyBZSSIOLOWZKFHW-UHFFFAOYSA-N
MW379.39 g/mol
LogP1.86
Rot. Bonds7

About N-[4-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide

N-[4-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide (PubChem CID 1416689) has the molecular formula C16H17N3O6S and a molecular weight of 379.39 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide
PubChem CID1416689
Molecular FormulaC16H17N3O6S
Molecular Weight379.39 g/mol
Exact Mass379.08
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H17N3O6S/c1-18(2)26(23,24)15-9-3-12(4-10-15)17-16(20)11-25-14-7-5-13(6-8-14)19(21)22/h3-10H,11H2,1-2H3,(H,17,20)
InChIKeyBZSSIOLOWZKFHW-UHFFFAOYSA-N
XLogP1.86
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(diethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 1013330
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
2-(4-chlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2710578
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204846
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
2-methyl-N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 1295054
4-[2-(4-nitroanilino)-2-oxoethoxy]-N-(4-nitrophenyl)benzamide
CID 10646566
N-(4-nitrophenyl)-2-(4-propanoylphenoxy)acetamide
CID 9395370
N-[4-(dimethylsulfamoyl)phenyl]-4-nitrobenzamide
CID 2672860
N-[(4-nitrophenyl)carbamoyl]-2-[4-[2-[(4-nitrophenyl)carbamoylamino]-2-oxoethoxy]phenoxy]acetamide
CID 11981942
2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide
CID 4930992
N-[4-(dimethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 9494871

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide (CID 1416689) is N-[4-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide is CN(C)S(=O)(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide?
The InChIKey is BZSSIOLOWZKFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O6S/c1-18(2)26(23,24)15-9-3-12(4-10-15)17-16(20)11-25-14-7-5-13(6-8-14)19(21)22/h3-10H,11H2,1-2H3,(H,17,20).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide?
N-[4-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide has a molecular weight of 379.39 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 1416689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).