2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)acetamide

C21H33N5O4S2 — CID 43052401

IUPAC2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCCCCCc1nnc(NC(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)s1
InChIInChI=1S/C21H33N5O4S2/c1-4-7-8-9-10-11-12-19-23-24-21(31-19)22-18(27)16-25-15-17(13-14-20(25)28)32(29,30)26(5-2)6-3/h13-15H,4-12,16H2,1-3H3,(H,22,24,27)
InChIKeyRQBZPKZYBKKEJX-UHFFFAOYSA-N
MW483.66 g/mol
LogP3.27
Rot. Bonds14

About 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)acetamide

2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 43052401) has the molecular formula C21H33N5O4S2 and a molecular weight of 483.66 g/mol. Its IUPAC name is 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID43052401
Molecular FormulaC21H33N5O4S2
Molecular Weight483.66 g/mol
Exact Mass483.20
IUPAC Name2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCCCCCc1nnc(NC(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)s1
InChIInChI=1S/C21H33N5O4S2/c1-4-7-8-9-10-11-12-19-23-24-21(31-19)22-18(27)16-25-15-17(13-14-20(25)28)32(29,30)26(5-2)6-3/h13-15H,4-12,16H2,1-3H3,(H,22,24,27)
InChIKeyRQBZPKZYBKKEJX-UHFFFAOYSA-N
XLogP3.27
TPSA114.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.66
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 30969513
3-(diethylsulfamoyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8839583
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-iodophenyl)acetamide
CID 16552124
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 26251715
N-(5-chloro-2-fluorophenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 7252282
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4,5-trichlorophenyl)acetamide
CID 41114327
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 51215892
N-(4-cyanophenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 16552503
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4-difluorophenyl)acetamide
CID 7252313
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-fluorophenyl)acetamide
CID 7252285
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 30280051
N-[4-[(2S)-butan-2-yl]phenyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 7768257

Frequently Asked Questions

What is the IUPAC name of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)acetamide (CID 43052401) is 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)acetamide is CCCCCCCCc1nnc(NC(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)s1.
What is the InChIKey of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is RQBZPKZYBKKEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O4S2/c1-4-7-8-9-10-11-12-19-23-24-21(31-19)22-18(27)16-25-15-17(13-14-20(25)28)32(29,30)26(5-2)6-3/h13-15H,4-12,16H2,1-3H3,(H,22,24,27).
What are the key properties of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 483.66 g/mol, XLogP of 3.27, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 43052401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).