N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-(2-nitrophenyl)acetamide

C24H25N3O6S — CID 42996302

IUPACN-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-(2-nitrophenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC(=O)Cc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C24H25N3O6S/c1-3-26(4-2)34(31,32)20-14-15-23(33-19-11-6-5-7-12-19)21(17-20)25-24(28)16-18-10-8-9-13-22(18)27(29)30/h5-15,17H,3-4,16H2,1-2H3,(H,25,28)
InChIKeyQCRCVHQXGRCXAC-UHFFFAOYSA-N
MW483.55 g/mol
LogP4.60
Rot. Bonds10

About N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-(2-nitrophenyl)acetamide

N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-(2-nitrophenyl)acetamide (PubChem CID 42996302) has the molecular formula C24H25N3O6S and a molecular weight of 483.55 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-(2-nitrophenyl)acetamide
PubChem CID42996302
Molecular FormulaC24H25N3O6S
Molecular Weight483.55 g/mol
Exact Mass483.15
IUPAC NameN-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-(2-nitrophenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC(=O)Cc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C24H25N3O6S/c1-3-26(4-2)34(31,32)20-14-15-23(33-19-11-6-5-7-12-19)21(17-20)25-24(28)16-18-10-8-9-13-22(18)27(29)30/h5-15,17H,3-4,16H2,1-2H3,(H,25,28)
InChIKeyQCRCVHQXGRCXAC-UHFFFAOYSA-N
XLogP4.60
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 54.60
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-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-methylsulfanylacetamide
CID 42997357
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2-nitroanilino)propanamide
CID 16962896
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(2-nitroanilino)propanamide
CID 16962374
2-(2-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]acetamide
CID 8501669
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide
CID 92673619
N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-1,1-dioxothiolane-3-carboxamide
CID 16566573
[2-oxo-2-(2-phenoxyanilino)ethyl] 2-(2-nitrophenyl)acetate
CID 8765931
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-nitrophenyl)acetamide
CID 1351291
N,N-diethyl-3-[(2-nitrophenyl)methylamino]-4-(propylamino)benzenesulfonamide
CID 78825367
N,N-diethyl-3-nitro-4-(2-phenoxyethoxy)benzenesulfonamide
CID 7642713
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methyl-3-nitrobenzamide
CID 26891825
2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-phenoxyphenyl)acetamide
CID 19798493

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-(2-nitrophenyl)acetamide (CID 42996302) is N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-(2-nitrophenyl)acetamide is CCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC(=O)Cc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-(2-nitrophenyl)acetamide?
The InChIKey is QCRCVHQXGRCXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6S/c1-3-26(4-2)34(31,32)20-14-15-23(33-19-11-6-5-7-12-19)21(17-20)25-24(28)16-18-10-8-9-13-22(18)27(29)30/h5-15,17H,3-4,16H2,1-2H3,(H,25,28).
What are the key properties of N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-(2-nitrophenyl)acetamide?
N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-(2-nitrophenyl)acetamide has a molecular weight of 483.55 g/mol, XLogP of 4.60, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 42996302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).