N-butyl-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide

C17H26F3N3O4S — CID 55661878

IUPACN-butyl-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CC(F)(F)F)C(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O
InChIInChI=1S/C17H26F3N3O4S/c1-4-7-10-21(13-17(18,19)20)16(25)12-22-11-14(8-9-15(22)24)28(26,27)23(5-2)6-3/h8-9,11H,4-7,10,12-13H2,1-3H3
InChIKeyYOUJBUGIXBXTJH-UHFFFAOYSA-N
MW425.47 g/mol
LogP2.07
Rot. Bonds10

About N-butyl-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide

N-butyl-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 55661878) has the molecular formula C17H26F3N3O4S and a molecular weight of 425.47 g/mol. Its IUPAC name is N-butyl-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-butyl-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID55661878
Molecular FormulaC17H26F3N3O4S
Molecular Weight425.47 g/mol
Exact Mass425.16
IUPAC NameN-butyl-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CC(F)(F)F)C(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O
InChIInChI=1S/C17H26F3N3O4S/c1-4-7-10-21(13-17(18,19)20)16(25)12-22-11-14(8-9-15(22)24)28(26,27)23(5-2)6-3/h8-9,11H,4-7,10,12-13H2,1-3H3
InChIKeyYOUJBUGIXBXTJH-UHFFFAOYSA-N
XLogP2.07
TPSA79.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-butyl-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide (CID 55661878) is N-butyl-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-butyl-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-butyl-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide is CCCCN(CC(F)(F)F)C(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O.
What is the InChIKey of N-butyl-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is YOUJBUGIXBXTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N3O4S/c1-4-7-10-21(13-17(18,19)20)16(25)12-22-11-14(8-9-15(22)24)28(26,27)23(5-2)6-3/h8-9,11H,4-7,10,12-13H2,1-3H3.
What are the key properties of N-butyl-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide?
N-butyl-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 425.47 g/mol, XLogP of 2.07, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 55661878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).