N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-oxopentanamide

C15H21N3O5S — CID 108574942

IUPACN-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCCNS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H21N3O5S/c1-11(19)3-8-15(21)16-9-10-17-24(22,23)14-6-4-13(5-7-14)18-12(2)20/h4-7,17H,3,8-10H2,1-2H3,(H,16,21)(H,18,20)
InChIKeyFMYQTDNKIUNFDM-UHFFFAOYSA-N
MW355.42 g/mol
LogP0.41
Rot. Bonds9

About N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-oxopentanamide

N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-oxopentanamide (PubChem CID 108574942) has the molecular formula C15H21N3O5S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-oxopentanamide.

Molecular Properties

Compound NameN-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-oxopentanamide
PubChem CID108574942
Molecular FormulaC15H21N3O5S
Molecular Weight355.42 g/mol
Exact Mass355.12
IUPAC NameN-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCCNS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H21N3O5S/c1-11(19)3-8-15(21)16-9-10-17-24(22,23)14-6-4-13(5-7-14)18-12(2)20/h4-7,17H,3,8-10H2,1-2H3,(H,16,21)(H,18,20)
InChIKeyFMYQTDNKIUNFDM-UHFFFAOYSA-N
XLogP0.41
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-2-(2-methoxyethoxy)acetamide
CID 108574823
3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 2451587
4-[(4-acetamidophenyl)sulfonylamino]butanoate
CID 2385404
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide
CID 108573113
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]pyridine-4-carboxamide
CID 108574450
N-[4-[[(E)-pent-3-enyl]sulfamoyl]phenyl]acetamide
CID 115628736
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide
CID 108571113
N-[4-[3-(methylamino)propylsulfamoyl]phenyl]acetamide
CID 43602837
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-3-fluorobenzamide
CID 108574692
[2-oxo-2-(propylamino)ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 7870402
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
N-(4-acetamidophenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192669

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-oxopentanamide?
The IUPAC name of N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-oxopentanamide (CID 108574942) is N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-oxopentanamide.
What is the SMILES notation for N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-oxopentanamide?
The canonical SMILES for N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-oxopentanamide is CC(=O)CCC(=O)NCCNS(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-oxopentanamide?
The InChIKey is FMYQTDNKIUNFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5S/c1-11(19)3-8-15(21)16-9-10-17-24(22,23)14-6-4-13(5-7-14)18-12(2)20/h4-7,17H,3,8-10H2,1-2H3,(H,16,21)(H,18,20).
What are the key properties of N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-oxopentanamide?
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-oxopentanamide has a molecular weight of 355.42 g/mol, XLogP of 0.41, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-oxopentanamide is sourced from PubChem (CID 108574942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).