2-[benzyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-methoxyethyl)propanamide

C24H33N3O5S — CID 133148681

IUPAC2-[benzyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-methoxyethyl)propanamide
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)C(C)C(=O)NCCOC)cc1
InChIInChI=1S/C24H33N3O5S/c1-4-26-33(30,31)22-13-10-20(11-14-22)12-15-23(28)27(18-21-8-6-5-7-9-21)19(2)24(29)25-16-17-32-3/h5-11,13-14,19,26H,4,12,15-18H2,1-3H3,(H,25,29)
InChIKeyQSKNUHPQWPWJDD-UHFFFAOYSA-N
MW475.61 g/mol
LogP2.10
Rot. Bonds13

About 2-[benzyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-methoxyethyl)propanamide

2-[benzyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-methoxyethyl)propanamide (PubChem CID 133148681) has the molecular formula C24H33N3O5S and a molecular weight of 475.61 g/mol. Its IUPAC name is 2-[benzyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[benzyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-methoxyethyl)propanamide
PubChem CID133148681
Molecular FormulaC24H33N3O5S
Molecular Weight475.61 g/mol
Exact Mass475.21
IUPAC Name2-[benzyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-methoxyethyl)propanamide
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)C(C)C(=O)NCCOC)cc1
InChIInChI=1S/C24H33N3O5S/c1-4-26-33(30,31)22-13-10-20(11-14-22)12-15-23(28)27(18-21-8-6-5-7-9-21)19(2)24(29)25-16-17-32-3/h5-11,13-14,19,26H,4,12,15-18H2,1-3H3,(H,25,29)
InChIKeyQSKNUHPQWPWJDD-UHFFFAOYSA-N
XLogP2.10
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[benzyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 133213817
2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-fluorophenyl)methyl]amino]-N-(3-methoxypropyl)propanamide
CID 133149680
2-[(4-chlorophenyl)methyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-phenylethyl)propanamide
CID 133149182
N-(3-ethoxypropyl)-2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-methoxyphenyl)methyl]amino]propanamide
CID 133213319
2-[(4-chlorophenyl)methyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(3-ethoxypropyl)propanamide
CID 133149191
N-butyl-2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-fluorophenyl)methyl]amino]propanamide
CID 133149662
2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-fluorophenyl)methyl]amino]-N-pentylpropanamide
CID 133149701
2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-fluorophenyl)methyl]amino]-N-(3-hydroxypropyl)propanamide
CID 133149679
2-[(4-chlorophenyl)methyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(3-methylbutyl)propanamide
CID 133149196
N-butyl-2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 133236299
2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-fluorophenyl)methyl]amino]-N-(pyridin-2-ylmethyl)propanamide
CID 133149693
N-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]propanamide
CID 133237376

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[benzyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-methoxyethyl)propanamide (CID 133148681) is 2-[benzyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[benzyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[benzyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-methoxyethyl)propanamide is CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)C(C)C(=O)NCCOC)cc1.
What is the InChIKey of 2-[benzyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is QSKNUHPQWPWJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O5S/c1-4-26-33(30,31)22-13-10-20(11-14-22)12-15-23(28)27(18-21-8-6-5-7-9-21)19(2)24(29)25-16-17-32-3/h5-11,13-14,19,26H,4,12,15-18H2,1-3H3,(H,25,29).
What are the key properties of 2-[benzyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-methoxyethyl)propanamide?
2-[benzyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 475.61 g/mol, XLogP of 2.10, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 133148681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).