4-chloro-N-ethyl-3-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]-N-phenylbenzenesulfonamide

C24H24ClN3O5S — CID 2594382

IUPAC4-chloro-N-ethyl-3-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]-N-phenylbenzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)COc2ccccc2C)c1
InChIInChI=1S/C24H24ClN3O5S/c1-3-28(18-10-5-4-6-11-18)34(31,32)19-13-14-21(25)20(15-19)24(30)27-26-23(29)16-33-22-12-8-7-9-17(22)2/h4-15H,3,16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyNNSJBJSXEXGVAN-UHFFFAOYSA-N
MW501.99 g/mol
LogP3.70
Rot. Bonds8

About 4-chloro-N-ethyl-3-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]-N-phenylbenzenesulfonamide

4-chloro-N-ethyl-3-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]-N-phenylbenzenesulfonamide (PubChem CID 2594382) has the molecular formula C24H24ClN3O5S and a molecular weight of 501.99 g/mol. Its IUPAC name is 4-chloro-N-ethyl-3-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-3-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]-N-phenylbenzenesulfonamide
PubChem CID2594382
Molecular FormulaC24H24ClN3O5S
Molecular Weight501.99 g/mol
Exact Mass501.11
IUPAC Name4-chloro-N-ethyl-3-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]-N-phenylbenzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)COc2ccccc2C)c1
InChIInChI=1S/C24H24ClN3O5S/c1-3-28(18-10-5-4-6-11-18)34(31,32)19-13-14-21(25)20(15-19)24(30)27-26-23(29)16-33-22-12-8-7-9-17(22)2/h4-15H,3,16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyNNSJBJSXEXGVAN-UHFFFAOYSA-N
XLogP3.70
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.99
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N,N-diethyl-3-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
CID 2478232
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 7959591
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-pentan-3-ylbenzamide
CID 7962770
2-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide
CID 55368520
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2,4,6-trichlorophenyl)benzamide
CID 2344205
[2-(2-methylpropanoylamino)-2-oxoethyl] 2-chloro-5-[ethyl(phenyl)sulfamoyl]benzoate
CID 2472808
N'-[2-(2-chlorophenoxy)acetyl]-2-methyl-5-methylsulfonylbenzohydrazide
CID 9470201
N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide
CID 3983951
2-chloro-N'-[2-(2-methylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 3526771
[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-chloro-5-[ethyl(phenyl)sulfamoyl]benzoate
CID 3914061
3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide
CID 3859745
2-chloro-N-[(1R)-1-cyclopropylethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide
CID 8855589

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-3-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]-N-phenylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-ethyl-3-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]-N-phenylbenzenesulfonamide (CID 2594382) is 4-chloro-N-ethyl-3-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-ethyl-3-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-ethyl-3-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]-N-phenylbenzenesulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)COc2ccccc2C)c1.
What is the InChIKey of 4-chloro-N-ethyl-3-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]-N-phenylbenzenesulfonamide?
The InChIKey is NNSJBJSXEXGVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O5S/c1-3-28(18-10-5-4-6-11-18)34(31,32)19-13-14-21(25)20(15-19)24(30)27-26-23(29)16-33-22-12-8-7-9-17(22)2/h4-15H,3,16H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 4-chloro-N-ethyl-3-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]-N-phenylbenzenesulfonamide?
4-chloro-N-ethyl-3-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]-N-phenylbenzenesulfonamide has a molecular weight of 501.99 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-3-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 2594382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).