2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[4-(4-fluorophenoxy)butyl]acetamide

C21H28FN3O5S — CID 30857026

IUPAC2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[4-(4-fluorophenoxy)butyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCCCOc2ccc(F)cc2)c1
InChIInChI=1S/C21H28FN3O5S/c1-3-25(4-2)31(28,29)19-11-12-21(27)24(15-19)16-20(26)23-13-5-6-14-30-18-9-7-17(22)8-10-18/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,23,26)
InChIKeyUYEKAKIXCGDNLI-UHFFFAOYSA-N
MW453.54 g/mol
LogP1.99
Rot. Bonds12

About 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[4-(4-fluorophenoxy)butyl]acetamide

2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[4-(4-fluorophenoxy)butyl]acetamide (PubChem CID 30857026) has the molecular formula C21H28FN3O5S and a molecular weight of 453.54 g/mol. Its IUPAC name is 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[4-(4-fluorophenoxy)butyl]acetamide.

Molecular Properties

Compound Name2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[4-(4-fluorophenoxy)butyl]acetamide
PubChem CID30857026
Molecular FormulaC21H28FN3O5S
Molecular Weight453.54 g/mol
Exact Mass453.17
IUPAC Name2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[4-(4-fluorophenoxy)butyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCCCOc2ccc(F)cc2)c1
InChIInChI=1S/C21H28FN3O5S/c1-3-25(4-2)31(28,29)19-11-12-21(27)24(15-19)16-20(26)23-13-5-6-14-30-18-9-7-17(22)8-10-18/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,23,26)
InChIKeyUYEKAKIXCGDNLI-UHFFFAOYSA-N
XLogP1.99
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(4-fluorophenoxy)ethyl]acetamide
CID 37362916
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7768251
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4-difluorophenyl)acetamide
CID 7252313
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-prop-2-enylacetamide
CID 9399528
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-fluorophenyl)acetamide
CID 7252285
N-[(3-chlorophenyl)methyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 9401741
N-(5-chloro-2-fluorophenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 7252282
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
CID 47035882
N-(4-chloro-2-fluorophenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 16552949
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 51215892
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-iodophenyl)acetamide
CID 16552124
2-[[2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 7829051

Frequently Asked Questions

What is the IUPAC name of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[4-(4-fluorophenoxy)butyl]acetamide?
The IUPAC name of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[4-(4-fluorophenoxy)butyl]acetamide (CID 30857026) is 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[4-(4-fluorophenoxy)butyl]acetamide.
What is the SMILES notation for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[4-(4-fluorophenoxy)butyl]acetamide?
The canonical SMILES for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[4-(4-fluorophenoxy)butyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCCCOc2ccc(F)cc2)c1.
What is the InChIKey of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[4-(4-fluorophenoxy)butyl]acetamide?
The InChIKey is UYEKAKIXCGDNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O5S/c1-3-25(4-2)31(28,29)19-11-12-21(27)24(15-19)16-20(26)23-13-5-6-14-30-18-9-7-17(22)8-10-18/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,23,26).
What are the key properties of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[4-(4-fluorophenoxy)butyl]acetamide?
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[4-(4-fluorophenoxy)butyl]acetamide has a molecular weight of 453.54 g/mol, XLogP of 1.99, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[4-(4-fluorophenoxy)butyl]acetamide is sourced from PubChem (CID 30857026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).