N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide

C20H24N4O6S — CID 29347081

IUPACN-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)COc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C20H24N4O6S/c1-23(15-8-3-2-4-9-15)31(28,29)18-12-6-5-10-16(18)22-19(25)14-30-17-11-7-13-21-20(17)24(26)27/h5-7,10-13,15H,2-4,8-9,14H2,1H3,(H,22,25)
InChIKeyLCUDTGZTVUXIGN-UHFFFAOYSA-N
MW448.50 g/mol
LogP2.96
Rot. Bonds8

About N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide

N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide (PubChem CID 29347081) has the molecular formula C20H24N4O6S and a molecular weight of 448.50 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
PubChem CID29347081
Molecular FormulaC20H24N4O6S
Molecular Weight448.50 g/mol
Exact Mass448.14
IUPAC NameN-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)COc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C20H24N4O6S/c1-23(15-8-3-2-4-9-15)31(28,29)18-12-6-5-10-16(18)22-19(25)14-30-17-11-7-13-21-20(17)24(26)27/h5-7,10-13,15H,2-4,8-9,14H2,1H3,(H,22,25)
InChIKeyLCUDTGZTVUXIGN-UHFFFAOYSA-N
XLogP2.96
TPSA131.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 52.96
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 N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The IUPAC name of N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide (CID 29347081) is N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The canonical SMILES for N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide is CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)COc1cccnc1[N+](=O)[O-].
What is the InChIKey of N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The InChIKey is LCUDTGZTVUXIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O6S/c1-23(15-8-3-2-4-9-15)31(28,29)18-12-6-5-10-16(18)22-19(25)14-30-17-11-7-13-21-20(17)24(26)27/h5-7,10-13,15H,2-4,8-9,14H2,1H3,(H,22,25).
What are the key properties of N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide has a molecular weight of 448.50 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide is sourced from PubChem (CID 29347081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).