N-(4-chlorophenyl)-2-(5-phenoxypyrimidin-2-yl)sulfanylacetamide

C18H14ClN3O2S — CID 166331146

IUPACN-(4-chlorophenyl)-2-(5-phenoxypyrimidin-2-yl)sulfanylacetamide
SMILESO=C(CSc1ncc(Oc2ccccc2)cn1)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H14ClN3O2S/c19-13-6-8-14(9-7-13)22-17(23)12-25-18-20-10-16(11-21-18)24-15-4-2-1-3-5-15/h1-11H,12H2,(H,22,23)
InChIKeyYVKHJYXFHMMIIT-UHFFFAOYSA-N
MW371.85 g/mol
LogP4.65
Rot. Bonds6

About N-(4-chlorophenyl)-2-(5-phenoxypyrimidin-2-yl)sulfanylacetamide

N-(4-chlorophenyl)-2-(5-phenoxypyrimidin-2-yl)sulfanylacetamide (PubChem CID 166331146) has the molecular formula C18H14ClN3O2S and a molecular weight of 371.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(5-phenoxypyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(5-phenoxypyrimidin-2-yl)sulfanylacetamide
PubChem CID166331146
Molecular FormulaC18H14ClN3O2S
Molecular Weight371.85 g/mol
Exact Mass371.05
IUPAC NameN-(4-chlorophenyl)-2-(5-phenoxypyrimidin-2-yl)sulfanylacetamide
SMILESO=C(CSc1ncc(Oc2ccccc2)cn1)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H14ClN3O2S/c19-13-6-8-14(9-7-13)22-17(23)12-25-18-20-10-16(11-21-18)24-15-4-2-1-3-5-15/h1-11H,12H2,(H,22,23)
InChIKeyYVKHJYXFHMMIIT-UHFFFAOYSA-N
XLogP4.65
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide
CID 7415999
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
CID 1117486
2-(4-chlorophenyl)sulfanyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 55921251
2-(6-benzyl-8-chloro-5,5-dioxopyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
CID 46336254
N-[4-(4-chlorophenoxy)phenyl]-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3255852
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide
CID 5133430
3-chloro-N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide
CID 23098901
N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 4560101
2-chloro-N-[4-(4-chlorophenoxy)phenyl]acetamide
CID 2782070
N-(4-chlorophenyl)-2-(6-ethoxy-4-phenylquinazolin-2-yl)sulfanylacetamide
CID 23606567
N-(4-chlorophenyl)-2-(2-phenoxyethylamino)acetamide
CID 60647399
N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide
CID 22775721

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(5-phenoxypyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(5-phenoxypyrimidin-2-yl)sulfanylacetamide (CID 166331146) is N-(4-chlorophenyl)-2-(5-phenoxypyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(5-phenoxypyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(5-phenoxypyrimidin-2-yl)sulfanylacetamide is O=C(CSc1ncc(Oc2ccccc2)cn1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(5-phenoxypyrimidin-2-yl)sulfanylacetamide?
The InChIKey is YVKHJYXFHMMIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2S/c19-13-6-8-14(9-7-13)22-17(23)12-25-18-20-10-16(11-21-18)24-15-4-2-1-3-5-15/h1-11H,12H2,(H,22,23).
What are the key properties of N-(4-chlorophenyl)-2-(5-phenoxypyrimidin-2-yl)sulfanylacetamide?
N-(4-chlorophenyl)-2-(5-phenoxypyrimidin-2-yl)sulfanylacetamide has a molecular weight of 371.85 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(5-phenoxypyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 166331146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).