N-cyclopentyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide

C18H20FN3OS — CID 51365001

IUPACN-cyclopentyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
SMILESCc1cc(SCC(=O)NC2CCCC2)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H20FN3OS/c1-12-10-17(24-11-16(23)21-15-4-2-3-5-15)22-18(20-12)13-6-8-14(19)9-7-13/h6-10,15H,2-5,11H2,1H3,(H,21,23)
InChIKeyNEPOJGJWSKOZQZ-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.74
Rot. Bonds5

About N-cyclopentyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide

N-cyclopentyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide (PubChem CID 51365001) has the molecular formula C18H20FN3OS and a molecular weight of 345.44 g/mol. Its IUPAC name is N-cyclopentyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
PubChem CID51365001
Molecular FormulaC18H20FN3OS
Molecular Weight345.44 g/mol
Exact Mass345.13
IUPAC NameN-cyclopentyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
SMILESCc1cc(SCC(=O)NC2CCCC2)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H20FN3OS/c1-12-10-17(24-11-16(23)21-15-4-2-3-5-15)22-18(20-12)13-6-8-14(19)9-7-13/h6-10,15H,2-5,11H2,1H3,(H,21,23)
InChIKeyNEPOJGJWSKOZQZ-UHFFFAOYSA-N
XLogP3.74
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
CID 51364986
N-cyclopentyl-2-[[4-ethyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17381815
N-cyclohexyl-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetamide
CID 16876870
N-cyclopentyl-2-[[2-(4-fluorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-4-yl]sulfanyl]acetamide
CID 53109564
N-cyclohexyl-2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide
CID 3223778
N-(cyclohexylcarbamoyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2639765
N-cyclopropyl-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide
CID 1459866
N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide
CID 846420
2-[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide
CID 4677128
2-[2-(cycloheptylamino)-2-oxoethyl]sulfanylpyridine-4-carboxylic acid
CID 61300302
N-cyclopropyl-2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide
CID 1459882
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-cyclopentyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide (CID 51365001) is N-cyclopentyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide is Cc1cc(SCC(=O)NC2CCCC2)nc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-cyclopentyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide?
The InChIKey is NEPOJGJWSKOZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3OS/c1-12-10-17(24-11-16(23)21-15-4-2-3-5-15)22-18(20-12)13-6-8-14(19)9-7-13/h6-10,15H,2-5,11H2,1H3,(H,21,23).
What are the key properties of N-cyclopentyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide?
N-cyclopentyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide has a molecular weight of 345.44 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide is sourced from PubChem (CID 51365001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).