2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide

C20H24FN3OS — CID 60513656

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide
SMILESCc1cc(C)nc(SCC(=O)NCC2(c3ccc(F)cc3)CCCC2)n1
InChIInChI=1S/C20H24FN3OS/c1-14-11-15(2)24-19(23-14)26-12-18(25)22-13-20(9-3-4-10-20)16-5-7-17(21)8-6-16/h5-8,11H,3-4,9-10,12-13H2,1-2H3,(H,22,25)
InChIKeyWKGOHQKWCFKXKO-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.95
Rot. Bonds6

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide (PubChem CID 60513656) has the molecular formula C20H24FN3OS and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide
PubChem CID60513656
Molecular FormulaC20H24FN3OS
Molecular Weight373.50 g/mol
Exact Mass373.16
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide
SMILESCc1cc(C)nc(SCC(=O)NCC2(c3ccc(F)cc3)CCCC2)n1
InChIInChI=1S/C20H24FN3OS/c1-14-11-15(2)24-19(23-14)26-12-18(25)22-13-20(9-3-4-10-20)16-5-7-17(21)8-6-16/h5-8,11H,3-4,9-10,12-13H2,1-2H3,(H,22,25)
InChIKeyWKGOHQKWCFKXKO-UHFFFAOYSA-N
XLogP3.95
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544179
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 55745995
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide
CID 86994815
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-propan-2-yloxypropanamide
CID 86994816
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-methyl-2H-triazole-4-carboxamide
CID 122559279
2-(cyclopropylmethylamino)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide;hydrochloride
CID 119731159
1-[[1-(4-fluorophenyl)cyclohexyl]methyl]-3-(4-methyl-6-pyrimidin-2-ylsulfanylpyrimidin-2-yl)thiourea
CID 100789103
N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 91797143
3-ethoxy-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide
CID 56500429
4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride
CID 120561267
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
CID 60515016
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 51092079

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide (CID 60513656) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide is Cc1cc(C)nc(SCC(=O)NCC2(c3ccc(F)cc3)CCCC2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide?
The InChIKey is WKGOHQKWCFKXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3OS/c1-14-11-15(2)24-19(23-14)26-12-18(25)22-13-20(9-3-4-10-20)16-5-7-17(21)8-6-16/h5-8,11H,3-4,9-10,12-13H2,1-2H3,(H,22,25).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide has a molecular weight of 373.50 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide is sourced from PubChem (CID 60513656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).