N-cyclohexyl-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetamide

C19H23N3OS — CID 16876870

IUPACN-cyclohexyl-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)NC2CCCCC2)cc(-c2ccccc2)n1
InChIInChI=1S/C19H23N3OS/c1-14-20-17(15-8-4-2-5-9-15)12-19(21-14)24-13-18(23)22-16-10-6-3-7-11-16/h2,4-5,8-9,12,16H,3,6-7,10-11,13H2,1H3,(H,22,23)
InChIKeyYEKSPPRXUZEWRT-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.99
Rot. Bonds5

About N-cyclohexyl-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetamide

N-cyclohexyl-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetamide (PubChem CID 16876870) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is N-cyclohexyl-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetamide
PubChem CID16876870
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC NameN-cyclohexyl-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)NC2CCCCC2)cc(-c2ccccc2)n1
InChIInChI=1S/C19H23N3OS/c1-14-20-17(15-8-4-2-5-9-15)12-19(21-14)24-13-18(23)22-16-10-6-3-7-11-16/h2,4-5,8-9,12,16H,3,6-7,10-11,13H2,1H3,(H,22,23)
InChIKeyYEKSPPRXUZEWRT-UHFFFAOYSA-N
XLogP3.99
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 42763708
2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide
CID 3125700
N-cycloheptyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3906065
N-cyclooctyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 5019410
N-(4-methylcyclohexyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 8730989
N-cyclohexyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
CID 51364986
N-cyclopentyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
CID 51365001
N-cyclohexyl-4-(2-methyl-6-phenylpyrimidin-4-yl)piperazine-1-carboxamide
CID 108782198
N-cycloheptyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 6408902
2-(5-cyano-6-methyl-2-phenylpyrimidin-4-yl)sulfanyl-N-cyclohexylacetamide
CID 35177453
2-[2-(cycloheptylamino)-2-oxoethyl]sulfanylpyridine-4-carboxylic acid
CID 61300302
N-cyclopentyl-2-(3-methylquinolin-2-yl)sulfanylacetamide
CID 860331

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetamide (CID 16876870) is N-cyclohexyl-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetamide is Cc1nc(SCC(=O)NC2CCCCC2)cc(-c2ccccc2)n1.
What is the InChIKey of N-cyclohexyl-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetamide?
The InChIKey is YEKSPPRXUZEWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-14-20-17(15-8-4-2-5-9-15)12-19(21-14)24-13-18(23)22-16-10-6-3-7-11-16/h2,4-5,8-9,12,16H,3,6-7,10-11,13H2,1H3,(H,22,23).
What are the key properties of N-cyclohexyl-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetamide?
N-cyclohexyl-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetamide has a molecular weight of 341.48 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 16876870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).