N-(3-chloro-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

C15H16ClN3OS — CID 808918

IUPACN-(3-chloro-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ccc(C)c(Cl)c2)n1
InChIInChI=1S/C15H16ClN3OS/c1-9-4-5-12(7-13(9)16)19-14(20)8-21-15-17-10(2)6-11(3)18-15/h4-7H,8H2,1-3H3,(H,19,20)
InChIKeyIDNKCWSLVCWDMZ-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.79
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

N-(3-chloro-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 808918) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID808918
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ccc(C)c(Cl)c2)n1
InChIInChI=1S/C15H16ClN3OS/c1-9-4-5-12(7-13(9)16)19-14(20)8-21-15-17-10(2)6-11(3)18-15/h4-7H,8H2,1-3H3,(H,19,20)
InChIKeyIDNKCWSLVCWDMZ-UHFFFAOYSA-N
XLogP3.79
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 62305813
2-chloro-5-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide
CID 55835896
2-[[4,6-bis[[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 110184146
N-(3,4-dibromophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 3919820
4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-2-hydroxybenzoic acid
CID 175088240
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
CID 43301918
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 701583
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
CID 6403909
N-(3-chloro-4-methylphenyl)-2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 27536618
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1H-indol-6-yl)acetamide
CID 19058761
N-(2,3-dihydro-1H-inden-5-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 38651828
N-(3,4-dimethylphenyl)-2-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]sulfanylacetamide
CID 1242723

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (CID 808918) is N-(3-chloro-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is Cc1cc(C)nc(SCC(=O)Nc2ccc(C)c(Cl)c2)n1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is IDNKCWSLVCWDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c1-9-4-5-12(7-13(9)16)19-14(20)8-21-15-17-10(2)6-11(3)18-15/h4-7H,8H2,1-3H3,(H,19,20).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
N-(3-chloro-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 321.83 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 808918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).