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

C18H21N3O6S — CID 1013330

IUPACN-[4-(diethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C18H21N3O6S/c1-3-20(4-2)28(25,26)17-11-5-14(6-12-17)19-18(22)13-27-16-9-7-15(8-10-16)21(23)24/h5-12H,3-4,13H2,1-2H3,(H,19,22)
InChIKeyYVLFQGQOQPGYTH-UHFFFAOYSA-N
MW407.45 g/mol
LogP2.64
Rot. Bonds9

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

N-[4-(diethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide (PubChem CID 1013330) has the molecular formula C18H21N3O6S and a molecular weight of 407.45 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide
PubChem CID1013330
Molecular FormulaC18H21N3O6S
Molecular Weight407.45 g/mol
Exact Mass407.12
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C18H21N3O6S/c1-3-20(4-2)28(25,26)17-11-5-14(6-12-17)19-18(22)13-27-16-9-7-15(8-10-16)21(23)24/h5-12H,3-4,13H2,1-2H3,(H,19,22)
InChIKeyYVLFQGQOQPGYTH-UHFFFAOYSA-N
XLogP2.64
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 52.64
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-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 1416689
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204846
N-(4-nitrophenyl)-2-(4-propanoylphenoxy)acetamide
CID 9395370
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
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-chloro-5-nitrobenzoate
CID 2631379
propyl 4-[[2-(4-nitrophenoxy)acetyl]amino]benzoate
CID 4501659
N-[4-(diethylamino)phenyl]-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide
CID 3953984
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide (CID 1013330) is N-[4-(diethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide?
The InChIKey is YVLFQGQOQPGYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O6S/c1-3-20(4-2)28(25,26)17-11-5-14(6-12-17)19-18(22)13-27-16-9-7-15(8-10-16)21(23)24/h5-12H,3-4,13H2,1-2H3,(H,19,22).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide?
N-[4-(diethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide has a molecular weight of 407.45 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 1013330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).