N-(2-adamantyl)-2-[5-(4-fluorophenyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide

C20H26FN3O3S — CID 70673887

IUPACN-(2-adamantyl)-2-[5-(4-fluorophenyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)S1(=O)=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H26FN3O3S/c21-17-1-3-18(4-2-17)24-6-5-23(28(24,26)27)12-19(25)22-20-15-8-13-7-14(10-15)11-16(20)9-13/h1-4,13-16,20H,5-12H2,(H,22,25)
InChIKeyGLGRYPUFICELDB-UHFFFAOYSA-N
MW407.51 g/mol
LogP2.13
Rot. Bonds4

About N-(2-adamantyl)-2-[5-(4-fluorophenyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide

N-(2-adamantyl)-2-[5-(4-fluorophenyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide (PubChem CID 70673887) has the molecular formula C20H26FN3O3S and a molecular weight of 407.51 g/mol. Its IUPAC name is N-(2-adamantyl)-2-[5-(4-fluorophenyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-[5-(4-fluorophenyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide
PubChem CID70673887
Molecular FormulaC20H26FN3O3S
Molecular Weight407.51 g/mol
Exact Mass407.17
IUPAC NameN-(2-adamantyl)-2-[5-(4-fluorophenyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)S1(=O)=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H26FN3O3S/c21-17-1-3-18(4-2-17)24-6-5-23(28(24,26)27)12-19(25)22-20-15-8-13-7-14(10-15)11-16(20)9-13/h1-4,13-16,20H,5-12H2,(H,22,25)
InChIKeyGLGRYPUFICELDB-UHFFFAOYSA-N
XLogP2.13
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-[5-(3-fluorophenyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetyl]amino]adamantane-1-carboxamide
CID 70673888
N-(1-adamantyl)-2-(1,1-dioxo-6-phenyl-1,2,6-thiadiazinan-2-yl)acetamide
CID 70688131
N-cyclopentyl-2-[6-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 20952463
N-(2-adamantyl)-4-[2-(4-fluoroanilino)-2-oxoethyl]morpholine-2-carboxamide
CID 66555228
N-(2-adamantyl)-2-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)acetamide;tert-butyl 6-[2-(2-adamantylamino)-2-oxoethyl]-1,1-dioxo-1,2,6-thiadiazinane-2-carboxylate;methane;hydrochloride
CID 159876814
N-(2-adamantyl)-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide
CID 166455951
N-(2-adamantyl)-2-morpholin-4-ylacetamide;hydrochloride
CID 2941980
2-[5-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-phenylacetamide
CID 46506620
N-cyclopropyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 6465367
N-(2-adamantyl)-3-oxobutanamide
CID 879553
N-(4-fluorophenyl)-2-[6-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 46279725
N-[1-[2-(2-adamantylamino)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide
CID 136576852

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-[5-(4-fluorophenyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide?
The IUPAC name of N-(2-adamantyl)-2-[5-(4-fluorophenyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide (CID 70673887) is N-(2-adamantyl)-2-[5-(4-fluorophenyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide.
What is the SMILES notation for N-(2-adamantyl)-2-[5-(4-fluorophenyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide?
The canonical SMILES for N-(2-adamantyl)-2-[5-(4-fluorophenyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide is O=C(CN1CCN(c2ccc(F)cc2)S1(=O)=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-2-[5-(4-fluorophenyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide?
The InChIKey is GLGRYPUFICELDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O3S/c21-17-1-3-18(4-2-17)24-6-5-23(28(24,26)27)12-19(25)22-20-15-8-13-7-14(10-15)11-16(20)9-13/h1-4,13-16,20H,5-12H2,(H,22,25).
What are the key properties of N-(2-adamantyl)-2-[5-(4-fluorophenyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide?
N-(2-adamantyl)-2-[5-(4-fluorophenyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide has a molecular weight of 407.51 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-[5-(4-fluorophenyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide is sourced from PubChem (CID 70673887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).