N-(4-fluorophenyl)-2-(1-octyl-4,6-dioxopyrimidin-2-yl)sulfanylacetamide

C20H26FN3O3S — CID 42884075

IUPACN-(4-fluorophenyl)-2-(1-octyl-4,6-dioxopyrimidin-2-yl)sulfanylacetamide
SMILESCCCCCCCCN1C(=O)CC(=O)N=C1SCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H26FN3O3S/c1-2-3-4-5-6-7-12-24-19(27)13-17(25)23-20(24)28-14-18(26)22-16-10-8-15(21)9-11-16/h8-11H,2-7,12-14H2,1H3,(H,22,26)
InChIKeyGOBLGEUIRRRFOH-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.97
Rot. Bonds10

About N-(4-fluorophenyl)-2-(1-octyl-4,6-dioxopyrimidin-2-yl)sulfanylacetamide

N-(4-fluorophenyl)-2-(1-octyl-4,6-dioxopyrimidin-2-yl)sulfanylacetamide (PubChem CID 42884075) has the molecular formula C20H26FN3O3S and a molecular weight of 407.51 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(1-octyl-4,6-dioxopyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(1-octyl-4,6-dioxopyrimidin-2-yl)sulfanylacetamide
PubChem CID42884075
Molecular FormulaC20H26FN3O3S
Molecular Weight407.51 g/mol
Exact Mass407.17
IUPAC NameN-(4-fluorophenyl)-2-(1-octyl-4,6-dioxopyrimidin-2-yl)sulfanylacetamide
SMILESCCCCCCCCN1C(=O)CC(=O)N=C1SCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H26FN3O3S/c1-2-3-4-5-6-7-12-24-19(27)13-17(25)23-20(24)28-14-18(26)22-16-10-8-15(21)9-11-16/h8-11H,2-7,12-14H2,1H3,(H,22,26)
InChIKeyGOBLGEUIRRRFOH-UHFFFAOYSA-N
XLogP3.97
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

11-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)undecanamide
CID 17035124
N-(4-fluorophenyl)-2-(octylamino)acetamide
CID 78914389
N-(4-fluorophenyl)-2-(pentylamino)acetamide
CID 28569105
N-(4-ethylphenyl)-2-[[2-(4-fluorophenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]acetamide
CID 22579083
N-(4-fluorophenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 7183853
3-[butyl(methyl)amino]-N-(4-fluorophenyl)propanamide;oxalic acid
CID 171154590
N-butyl-3-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]propanamide
CID 156610961
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
CID 7737844
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-hexylacetamide
CID 8804929
butyl 4-[[2-(4-fluorophenyl)sulfanylacetyl]amino]benzoate
CID 7228837
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(1-octyl-4,6-dioxopyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(1-octyl-4,6-dioxopyrimidin-2-yl)sulfanylacetamide (CID 42884075) is N-(4-fluorophenyl)-2-(1-octyl-4,6-dioxopyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(1-octyl-4,6-dioxopyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(1-octyl-4,6-dioxopyrimidin-2-yl)sulfanylacetamide is CCCCCCCCN1C(=O)CC(=O)N=C1SCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(1-octyl-4,6-dioxopyrimidin-2-yl)sulfanylacetamide?
The InChIKey is GOBLGEUIRRRFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O3S/c1-2-3-4-5-6-7-12-24-19(27)13-17(25)23-20(24)28-14-18(26)22-16-10-8-15(21)9-11-16/h8-11H,2-7,12-14H2,1H3,(H,22,26).
What are the key properties of N-(4-fluorophenyl)-2-(1-octyl-4,6-dioxopyrimidin-2-yl)sulfanylacetamide?
N-(4-fluorophenyl)-2-(1-octyl-4,6-dioxopyrimidin-2-yl)sulfanylacetamide has a molecular weight of 407.51 g/mol, XLogP of 3.97, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(1-octyl-4,6-dioxopyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 42884075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).