N-[(4-fluorophenyl)methyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide

C14H14FN3O2S — CID 30595674

IUPACN-[(4-fluorophenyl)methyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
SMILESCc1cnc(=O)[nH]c1SCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C14H14FN3O2S/c1-9-6-17-14(20)18-13(9)21-8-12(19)16-7-10-2-4-11(15)5-3-10/h2-6H,7-8H2,1H3,(H,16,19)(H,17,18,20)
InChIKeyXRDQVZNWVVYBSN-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.63
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide

N-[(4-fluorophenyl)methyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide (PubChem CID 30595674) has the molecular formula C14H14FN3O2S and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
PubChem CID30595674
Molecular FormulaC14H14FN3O2S
Molecular Weight307.35 g/mol
Exact Mass307.08
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
SMILESCc1cnc(=O)[nH]c1SCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C14H14FN3O2S/c1-9-6-17-14(20)18-13(9)21-8-12(19)16-7-10-2-4-11(15)5-3-10/h2-6H,7-8H2,1H3,(H,16,19)(H,17,18,20)
InChIKeyXRDQVZNWVVYBSN-UHFFFAOYSA-N
XLogP1.63
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 30595803
N-[(4-methylphenyl)methyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 30595384
N-[(4-fluorophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2629170
2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 95920277
2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
CID 50838375
N-[(4-fluorophenyl)methyl]-2-[5-(hydroxymethyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 22576217
2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 3324372
N-[(4-fluorophenyl)methyl]-2-[(7-oxo-5-propan-2-yl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
CID 136637121
N-[(4-acetamidophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 18153979
2-[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 41342372
2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
CID 53334179
2-[[4-amino-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 8614775

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide (CID 30595674) is N-[(4-fluorophenyl)methyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide is Cc1cnc(=O)[nH]c1SCC(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The InChIKey is XRDQVZNWVVYBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2S/c1-9-6-17-14(20)18-13(9)21-8-12(19)16-7-10-2-4-11(15)5-3-10/h2-6H,7-8H2,1H3,(H,16,19)(H,17,18,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide has a molecular weight of 307.35 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 30595674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).