N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2-nitrophenoxy)acetamide

C19H23N3O7S — CID 2793128

IUPACN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2-nitrophenoxy)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C19H23N3O7S/c1-4-21(5-2)30(26,27)14-10-11-17(28-3)15(12-14)20-19(23)13-29-18-9-7-6-8-16(18)22(24)25/h6-12H,4-5,13H2,1-3H3,(H,20,23)
InChIKeyCLUPJWPHLFUZIX-UHFFFAOYSA-N
MW437.47 g/mol
LogP2.65
Rot. Bonds10

About N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2-nitrophenoxy)acetamide

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2-nitrophenoxy)acetamide (PubChem CID 2793128) has the molecular formula C19H23N3O7S and a molecular weight of 437.47 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2-nitrophenoxy)acetamide
PubChem CID2793128
Molecular FormulaC19H23N3O7S
Molecular Weight437.47 g/mol
Exact Mass437.13
IUPAC NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2-nitrophenoxy)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C19H23N3O7S/c1-4-21(5-2)30(26,27)14-10-11-17(28-3)15(12-14)20-19(23)13-29-18-9-7-6-8-16(18)22(24)25/h6-12H,4-5,13H2,1-3H3,(H,20,23)
InChIKeyCLUPJWPHLFUZIX-UHFFFAOYSA-N
XLogP2.65
TPSA128.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 52.65
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'}

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Related Compounds

3-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 4916035
6-(1-Piperidinylsulfonyl)-2H-1,4-benzoxazin-3(4H)-one
CID 4172058
6-pyrrolidin-1-ylsulfonyl-4H-1,4-benzoxazin-3-one
CID 4916037
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)acetamide
CID 4841437
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide
CID 3354639
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 3647605
[2-[5-(Dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] cyclopropanecarboxylate
CID 3975162
2-(2-nitrophenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4379333
2-(2-fluorophenoxy)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide
CID 4381780
4-(4-Ethoxy-3-nitrophenyl)sulfonylmorpholine
CID 4689860
4-(3-Nitro-4-propoxyphenyl)sulfonylmorpholine
CID 4793305
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]cyclobutanecarboxamide
CID 4800134

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2-nitrophenoxy)acetamide (CID 2793128) is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2-nitrophenoxy)acetamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2-nitrophenoxy)acetamide?
The InChIKey is CLUPJWPHLFUZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O7S/c1-4-21(5-2)30(26,27)14-10-11-17(28-3)15(12-14)20-19(23)13-29-18-9-7-6-8-16(18)22(24)25/h6-12H,4-5,13H2,1-3H3,(H,20,23).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2-nitrophenoxy)acetamide?
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2-nitrophenoxy)acetamide has a molecular weight of 437.47 g/mol, XLogP of 2.65, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 2793128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).