2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-methyl-4-oxobutan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide

C20H24F2N4O3S — CID 11669308

IUPAC2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-methyl-4-oxobutan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nnc(C(C)(C)CC=O)s1
InChIInChI=1S/C20H24F2N4O3S/c1-4-5-15(23-16(28)10-12-8-13(21)11-14(22)9-12)17(29)24-19-26-25-18(30-19)20(2,3)6-7-27/h7-9,11,15H,4-6,10H2,1-3H3,(H,23,28)(H,24,26,29)
InChIKeyJKQYITLGSUPXSE-UHFFFAOYSA-N
MW438.50 g/mol
LogP3.15
Rot. Bonds10

About 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-methyl-4-oxobutan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide

2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-methyl-4-oxobutan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide (PubChem CID 11669308) has the molecular formula C20H24F2N4O3S and a molecular weight of 438.50 g/mol. Its IUPAC name is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-methyl-4-oxobutan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide.

Molecular Properties

Compound Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-methyl-4-oxobutan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide
PubChem CID11669308
Molecular FormulaC20H24F2N4O3S
Molecular Weight438.50 g/mol
Exact Mass438.15
IUPAC Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-methyl-4-oxobutan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nnc(C(C)(C)CC=O)s1
InChIInChI=1S/C20H24F2N4O3S/c1-4-5-15(23-16(28)10-12-8-13(21)11-14(22)9-12)17(29)24-19-26-25-18(30-19)20(2,3)6-7-27/h7-9,11,15H,4-6,10H2,1-3H3,(H,23,28)(H,24,26,29)
InChIKeyJKQYITLGSUPXSE-UHFFFAOYSA-N
XLogP3.15
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-methyl-4-oxobutan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide?
The IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-methyl-4-oxobutan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide (CID 11669308) is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-methyl-4-oxobutan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide.
What is the SMILES notation for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-methyl-4-oxobutan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide?
The canonical SMILES for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-methyl-4-oxobutan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide is CCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nnc(C(C)(C)CC=O)s1.
What is the InChIKey of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-methyl-4-oxobutan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide?
The InChIKey is JKQYITLGSUPXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O3S/c1-4-5-15(23-16(28)10-12-8-13(21)11-14(22)9-12)17(29)24-19-26-25-18(30-19)20(2,3)6-7-27/h7-9,11,15H,4-6,10H2,1-3H3,(H,23,28)(H,24,26,29).
What are the key properties of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-methyl-4-oxobutan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide?
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-methyl-4-oxobutan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide has a molecular weight of 438.50 g/mol, XLogP of 3.15, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-methyl-4-oxobutan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide is sourced from PubChem (CID 11669308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).