N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide

C21H25N3O6S — CID 30381217

IUPACN-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)COc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C21H25N3O6S/c1-23(16-8-3-2-4-9-16)31(28,29)20-13-6-5-12-19(20)22-21(25)15-30-18-11-7-10-17(14-18)24(26)27/h5-7,10-14,16H,2-4,8-9,15H2,1H3,(H,22,25)
InChIKeyOWJSJSWSYINSIO-UHFFFAOYSA-N
MW447.51 g/mol
LogP3.57
Rot. Bonds8

About N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide

N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide (PubChem CID 30381217) has the molecular formula C21H25N3O6S and a molecular weight of 447.51 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide
PubChem CID30381217
Molecular FormulaC21H25N3O6S
Molecular Weight447.51 g/mol
Exact Mass447.15
IUPAC NameN-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)COc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C21H25N3O6S/c1-23(16-8-3-2-4-9-16)31(28,29)20-13-6-5-12-19(20)22-21(25)15-30-18-11-7-10-17(14-18)24(26)27/h5-7,10-14,16H,2-4,8-9,15H2,1H3,(H,22,25)
InChIKeyOWJSJSWSYINSIO-UHFFFAOYSA-N
XLogP3.57
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 53.57
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-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 29347081
(E)-N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)prop-2-enamide
CID 6218817
N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(2-phenylphenoxy)acetamide
CID 4838958
N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(5-nitroindazol-1-yl)acetamide
CID 39975084
2-[[2-(3-nitrophenoxy)acetyl]amino]benzoic acid
CID 877684
N-(2-methylcyclohexyl)-2-(3-nitrophenoxy)acetamide
CID 18077039
N-cyclopropyl-2-(3-nitrophenoxy)acetamide
CID 7865440
[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46425533
N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[cyclopentyl(ethyl)amino]acetamide
CID 112829072
N-(3-chloro-2-methylphenyl)-2-(3-nitrophenoxy)acetamide
CID 7865374
[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 16531511
[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2-(6-methyl-3-pyridinyl)acetate
CID 55995504

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide?
The IUPAC name of N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide (CID 30381217) is N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide.
What is the SMILES notation for N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide?
The canonical SMILES for N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide is CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)COc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide?
The InChIKey is OWJSJSWSYINSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O6S/c1-23(16-8-3-2-4-9-16)31(28,29)20-13-6-5-12-19(20)22-21(25)15-30-18-11-7-10-17(14-18)24(26)27/h5-7,10-14,16H,2-4,8-9,15H2,1H3,(H,22,25).
What are the key properties of N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide?
N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide has a molecular weight of 447.51 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide is sourced from PubChem (CID 30381217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).