N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetamide

C22H19ClFN3O4S — CID 17422443

IUPACN-[2-(4-chlorophenyl)sulfanylphenyl]-2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetamide
SMILESO=C(Cn1c(=O)c(F)cn(C2CCCO2)c1=O)Nc1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C22H19ClFN3O4S/c23-14-7-9-15(10-8-14)32-18-5-2-1-4-17(18)25-19(28)13-27-21(29)16(24)12-26(22(27)30)20-6-3-11-31-20/h1-2,4-5,7-10,12,20H,3,6,11,13H2,(H,25,28)
InChIKeyZFCJXSRTIFOISZ-UHFFFAOYSA-N
MW475.93 g/mol
LogP3.90
Rot. Bonds6

About N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetamide

N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetamide (PubChem CID 17422443) has the molecular formula C22H19ClFN3O4S and a molecular weight of 475.93 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylphenyl]-2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetamide
PubChem CID17422443
Molecular FormulaC22H19ClFN3O4S
Molecular Weight475.93 g/mol
Exact Mass475.08
IUPAC NameN-[2-(4-chlorophenyl)sulfanylphenyl]-2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetamide
SMILESO=C(Cn1c(=O)c(F)cn(C2CCCO2)c1=O)Nc1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C22H19ClFN3O4S/c23-14-7-9-15(10-8-14)32-18-5-2-1-4-17(18)25-19(28)13-27-21(29)16(24)12-26(22(27)30)20-6-3-11-31-20/h1-2,4-5,7-10,12,20H,3,6,11,13H2,(H,25,28)
InChIKeyZFCJXSRTIFOISZ-UHFFFAOYSA-N
XLogP3.90
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.93
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cycloheptyl-2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetamide
CID 17392303
2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetate
CID 7131417
2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 41139392
5-fluoro-3-(hydroxymethyl)-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione
CID 24773982
(2R)-4-[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 25375648
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 43025777
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 42898323
[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl] cyclopentanecarboxylate
CID 23908442
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 3886099
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
CID 19527008
4-amino-2-[[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]butanoic acid
CID 69456008
5-fluoro-1-(oxolan-2-yl)-3-(quinolin-2-ylmethyl)pyrimidine-2,4-dione
CID 17481424

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetamide (CID 17422443) is N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetamide is O=C(Cn1c(=O)c(F)cn(C2CCCO2)c1=O)Nc1ccccc1Sc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetamide?
The InChIKey is ZFCJXSRTIFOISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN3O4S/c23-14-7-9-15(10-8-14)32-18-5-2-1-4-17(18)25-19(28)13-27-21(29)16(24)12-26(22(27)30)20-6-3-11-31-20/h1-2,4-5,7-10,12,20H,3,6,11,13H2,(H,25,28).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetamide?
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetamide has a molecular weight of 475.93 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetamide is sourced from PubChem (CID 17422443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).