N-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide

C20H18ClN3O2S — CID 51365122

IUPACN-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
SMILESCOc1ccc(-c2nc(C)cc(SCC(=O)Nc3ccccc3Cl)n2)cc1
InChIInChI=1S/C20H18ClN3O2S/c1-13-11-19(24-20(22-13)14-7-9-15(26-2)10-8-14)27-12-18(25)23-17-6-4-3-5-16(17)21/h3-11H,12H2,1-2H3,(H,23,25)
InChIKeyADNVAFGAASTCMH-UHFFFAOYSA-N
MW399.90 g/mol
LogP4.84
Rot. Bonds6

About N-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide

N-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide (PubChem CID 51365122) has the molecular formula C20H18ClN3O2S and a molecular weight of 399.90 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
PubChem CID51365122
Molecular FormulaC20H18ClN3O2S
Molecular Weight399.90 g/mol
Exact Mass399.08
IUPAC NameN-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
SMILESCOc1ccc(-c2nc(C)cc(SCC(=O)Nc3ccccc3Cl)n2)cc1
InChIInChI=1S/C20H18ClN3O2S/c1-13-11-19(24-20(22-13)14-7-9-15(26-2)10-8-14)27-12-18(25)23-17-6-4-3-5-16(17)21/h3-11H,12H2,1-2H3,(H,23,25)
InChIKeyADNVAFGAASTCMH-UHFFFAOYSA-N
XLogP4.84
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-3-pyridinyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
CID 51365202
N-(2-chlorophenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 8699217
N-(3-bromophenyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
CID 51365163
2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetic acid
CID 53214856
N-(3-chloro-2-methylphenyl)-2-[[2-(4-methoxyphenyl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl]acetamide
CID 20942594
N-(5-chloro-2-methoxyphenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
CID 51365108
2-[2-(3,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetohydrazide
CID 100590819
N-[5-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 980224
N-(2,6-dimethylphenyl)-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]sulfanylacetamide
CID 50840630
N-(2-chlorophenyl)-2-(4-methoxy-2-methylanilino)acetamide
CID 62871342
N-(2-chlorophenyl)-2-[[5-(4-ethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17379418
N-(2,5-difluorophenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
CID 51365090

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide (CID 51365122) is N-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide is COc1ccc(-c2nc(C)cc(SCC(=O)Nc3ccccc3Cl)n2)cc1.
What is the InChIKey of N-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide?
The InChIKey is ADNVAFGAASTCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2S/c1-13-11-19(24-20(22-13)14-7-9-15(26-2)10-8-14)27-12-18(25)23-17-6-4-3-5-16(17)21/h3-11H,12H2,1-2H3,(H,23,25).
What are the key properties of N-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide?
N-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide has a molecular weight of 399.90 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide is sourced from PubChem (CID 51365122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).