N-(5-chloro-2-methoxyphenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide

C20H17ClFN3O2S — CID 51365108

IUPACN-(5-chloro-2-methoxyphenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSc1cc(C)nc(-c2cccc(F)c2)n1
InChIInChI=1S/C20H17ClFN3O2S/c1-12-8-19(25-20(23-12)13-4-3-5-15(22)9-13)28-11-18(26)24-16-10-14(21)6-7-17(16)27-2/h3-10H,11H2,1-2H3,(H,24,26)
InChIKeyLJQLUUUNHRCIPZ-UHFFFAOYSA-N
MW417.89 g/mol
LogP4.98
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide

N-(5-chloro-2-methoxyphenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide (PubChem CID 51365108) has the molecular formula C20H17ClFN3O2S and a molecular weight of 417.89 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
PubChem CID51365108
Molecular FormulaC20H17ClFN3O2S
Molecular Weight417.89 g/mol
Exact Mass417.07
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSc1cc(C)nc(-c2cccc(F)c2)n1
InChIInChI=1S/C20H17ClFN3O2S/c1-12-8-19(25-20(23-12)13-4-3-5-15(22)9-13)28-11-18(26)24-16-10-14(21)6-7-17(16)27-2/h3-10H,11H2,1-2H3,(H,24,26)
InChIKeyLJQLUUUNHRCIPZ-UHFFFAOYSA-N
XLogP4.98
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-difluorophenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
CID 51365090
N-(5-chloro-2-methoxyphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3166643
N-(5-chloro-2-methoxyphenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide
CID 7184001
N-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
CID 51365122
2-[2-(3,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetohydrazide
CID 100590819
N-(5-chloro-2-methoxyphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755341
N-(5-chloro-2-methoxyphenyl)-2-[(7-oxo-2-phenyl-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]acetamide
CID 20942541
N-(2-chloro-3-pyridinyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
CID 51365202
1-(4-chlorophenyl)-2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]sulfanylethanone
CID 95921658
N-(5-chloro-2-methoxyphenyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 6416594
N-(5-chloro-2-methoxyphenyl)-2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 6401524
N-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenoxy)acetamide
CID 2710232

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide (CID 51365108) is N-(5-chloro-2-methoxyphenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide is COc1ccc(Cl)cc1NC(=O)CSc1cc(C)nc(-c2cccc(F)c2)n1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide?
The InChIKey is LJQLUUUNHRCIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O2S/c1-12-8-19(25-20(23-12)13-4-3-5-15(22)9-13)28-11-18(26)24-16-10-14(21)6-7-17(16)27-2/h3-10H,11H2,1-2H3,(H,24,26).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide?
N-(5-chloro-2-methoxyphenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide has a molecular weight of 417.89 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide is sourced from PubChem (CID 51365108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).