2-[4-(diethylsulfamoyl)-N-methyl-2-nitroanilino]-N-propylacetamide

C16H26N4O5S — CID 9184627

IUPAC2-[4-(diethylsulfamoyl)-N-methyl-2-nitroanilino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-]
InChIInChI=1S/C16H26N4O5S/c1-5-10-17-16(21)12-18(4)14-9-8-13(11-15(14)20(22)23)26(24,25)19(6-2)7-3/h8-9,11H,5-7,10,12H2,1-4H3,(H,17,21)
InChIKeyPXJFHZMMIUCPPY-UHFFFAOYSA-N
MW386.47 g/mol
LogP1.59
Rot. Bonds10

About 2-[4-(diethylsulfamoyl)-N-methyl-2-nitroanilino]-N-propylacetamide

2-[4-(diethylsulfamoyl)-N-methyl-2-nitroanilino]-N-propylacetamide (PubChem CID 9184627) has the molecular formula C16H26N4O5S and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-[4-(diethylsulfamoyl)-N-methyl-2-nitroanilino]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-(diethylsulfamoyl)-N-methyl-2-nitroanilino]-N-propylacetamide
PubChem CID9184627
Molecular FormulaC16H26N4O5S
Molecular Weight386.47 g/mol
Exact Mass386.16
IUPAC Name2-[4-(diethylsulfamoyl)-N-methyl-2-nitroanilino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-]
InChIInChI=1S/C16H26N4O5S/c1-5-10-17-16(21)12-18(4)14-9-8-13(11-15(14)20(22)23)26(24,25)19(6-2)7-3/h8-9,11H,5-7,10,12H2,1-4H3,(H,17,21)
InChIKeyPXJFHZMMIUCPPY-UHFFFAOYSA-N
XLogP1.59
TPSA112.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 51.59
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'}

Analyze 2-[4-(diethylsulfamoyl)-N-methyl-2-nitroanilino]-N-propylacetamide 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-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(propylcarbamoyl)acetamide
CID 5123407
N,N-diethyl-4-[methyl(thiophen-2-ylmethyl)amino]-3-nitrobenzenesulfonamide
CID 9113790
N,N-diethyl-4-[methyl(pyridin-3-ylmethyl)amino]-3-nitrobenzenesulfonamide
CID 9183425
N-(butylcarbamoyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide
CID 27323109
N-[2-(ethylamino)ethyl]-2-(N-methyl-2-nitroanilino)acetamide
CID 119507028
3-[ethyl-(4-methyl-3-nitrophenyl)sulfonylamino]propanoic acid
CID 61008891
N-(3-aminopropyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide
CID 119407055
N-(2-aminoethyl)-2-(N-methyl-2-nitroanilino)acetamide
CID 119383783
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetate
CID 7127670
2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 8800483
N,N-diethyl-3-nitro-4-(3-oxobutoxy)benzenesulfonamide
CID 7569788
2-(N-methyl-2,4-dinitroanilino)acetate
CID 7099160

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylsulfamoyl)-N-methyl-2-nitroanilino]-N-propylacetamide?
The IUPAC name of 2-[4-(diethylsulfamoyl)-N-methyl-2-nitroanilino]-N-propylacetamide (CID 9184627) is 2-[4-(diethylsulfamoyl)-N-methyl-2-nitroanilino]-N-propylacetamide.
What is the SMILES notation for 2-[4-(diethylsulfamoyl)-N-methyl-2-nitroanilino]-N-propylacetamide?
The canonical SMILES for 2-[4-(diethylsulfamoyl)-N-methyl-2-nitroanilino]-N-propylacetamide is CCCNC(=O)CN(C)c1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-].
What is the InChIKey of 2-[4-(diethylsulfamoyl)-N-methyl-2-nitroanilino]-N-propylacetamide?
The InChIKey is PXJFHZMMIUCPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O5S/c1-5-10-17-16(21)12-18(4)14-9-8-13(11-15(14)20(22)23)26(24,25)19(6-2)7-3/h8-9,11H,5-7,10,12H2,1-4H3,(H,17,21).
What are the key properties of 2-[4-(diethylsulfamoyl)-N-methyl-2-nitroanilino]-N-propylacetamide?
2-[4-(diethylsulfamoyl)-N-methyl-2-nitroanilino]-N-propylacetamide has a molecular weight of 386.47 g/mol, XLogP of 1.59, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylsulfamoyl)-N-methyl-2-nitroanilino]-N-propylacetamide is sourced from PubChem (CID 9184627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).