2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-(2-methoxyethyl)-2-phenylacetamide

C32H31F2N3O6S — CID 133237880

IUPAC2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-(2-methoxyethyl)-2-phenylacetamide
SMILESCOCCNC(=O)C(c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C32H31F2N3O6S/c1-42-20-19-35-32(39)31(24-5-3-2-4-6-24)37(21-23-7-9-25(33)10-8-23)30(38)22-43-28-15-17-29(18-16-28)44(40,41)36-27-13-11-26(34)12-14-27/h2-18,31,36H,19-22H2,1H3,(H,35,39)
InChIKeyGGAIUEFZKWQICT-UHFFFAOYSA-N
MW623.68 g/mol
LogP4.68
Rot. Bonds14

About 2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-(2-methoxyethyl)-2-phenylacetamide

2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-(2-methoxyethyl)-2-phenylacetamide (PubChem CID 133237880) has the molecular formula C32H31F2N3O6S and a molecular weight of 623.68 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-(2-methoxyethyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-(2-methoxyethyl)-2-phenylacetamide
PubChem CID133237880
Molecular FormulaC32H31F2N3O6S
Molecular Weight623.68 g/mol
Exact Mass623.19
IUPAC Name2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-(2-methoxyethyl)-2-phenylacetamide
SMILESCOCCNC(=O)C(c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C32H31F2N3O6S/c1-42-20-19-35-32(39)31(24-5-3-2-4-6-24)37(21-23-7-9-25(33)10-8-23)30(38)22-43-28-15-17-29(18-16-28)44(40,41)36-27-13-11-26(34)12-14-27/h2-18,31,36H,19-22H2,1H3,(H,35,39)
InChIKeyGGAIUEFZKWQICT-UHFFFAOYSA-N
XLogP4.68
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500623.68
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-chlorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-methyl-2-phenylacetamide
CID 133237322
N-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-2-phenylacetamide
CID 133237884
N-[(2,4-dichlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-2-phenylacetamide
CID 133237886
2-[(4-chlorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 133237347
2-[(4-chlorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 133237349
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-methoxypropyl)-2-phenylacetamide
CID 133238331
N-ethyl-2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-3-phenylpropanamide
CID 133214801
2-[benzyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-(3-hydroxypropyl)propanamide
CID 133148647
2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-methylpropanamide
CID 133149636
2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-(pyridin-2-ylmethyl)propanamide
CID 133149661
2-[[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]-[(4-methoxyphenyl)methyl]amino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 133236282
N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-3-phenylpropanamide
CID 133214816

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-(2-methoxyethyl)-2-phenylacetamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-(2-methoxyethyl)-2-phenylacetamide (CID 133237880) is 2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-(2-methoxyethyl)-2-phenylacetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-(2-methoxyethyl)-2-phenylacetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-(2-methoxyethyl)-2-phenylacetamide is COCCNC(=O)C(c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-(2-methoxyethyl)-2-phenylacetamide?
The InChIKey is GGAIUEFZKWQICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31F2N3O6S/c1-42-20-19-35-32(39)31(24-5-3-2-4-6-24)37(21-23-7-9-25(33)10-8-23)30(38)22-43-28-15-17-29(18-16-28)44(40,41)36-27-13-11-26(34)12-14-27/h2-18,31,36H,19-22H2,1H3,(H,35,39).
What are the key properties of 2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-(2-methoxyethyl)-2-phenylacetamide?
2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-(2-methoxyethyl)-2-phenylacetamide has a molecular weight of 623.68 g/mol, XLogP of 4.68, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-(2-methoxyethyl)-2-phenylacetamide is sourced from PubChem (CID 133237880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).