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

C14H14ClN3O2S — CID 7184015

IUPACN-[(4-chlorophenyl)methyl]-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide
SMILESCc1cc(SCC(=O)NCc2ccc(Cl)cc2)nc(=O)[nH]1
InChIInChI=1S/C14H14ClN3O2S/c1-9-6-13(18-14(20)17-9)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)
InChIKeyPBPHXIMLMLGUIC-UHFFFAOYSA-N
MW323.81 g/mol
LogP2.14
Rot. Bonds5

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

N-[(4-chlorophenyl)methyl]-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide (PubChem CID 7184015) has the molecular formula C14H14ClN3O2S and a molecular weight of 323.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide
PubChem CID7184015
Molecular FormulaC14H14ClN3O2S
Molecular Weight323.81 g/mol
Exact Mass323.05
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide
SMILESCc1cc(SCC(=O)NCc2ccc(Cl)cc2)nc(=O)[nH]1
InChIInChI=1S/C14H14ClN3O2S/c1-9-6-13(18-14(20)17-9)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)
InChIKeyPBPHXIMLMLGUIC-UHFFFAOYSA-N
XLogP2.14
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.81
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorobenzyl)-2-[(6-oxo-1,6-dihydro-2-pyrimidinyl)thio]acetamide
CID 2368008
N-[(2-chlorophenyl)methyl]-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259235
N-benzyl-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide
CID 7183928
N-[(4-fluorophenyl)methyl]-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide
CID 7183929
N-(4-chlorobenzyl)-2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio]acetamide
CID 135415396
1-(4-chlorobenzyl)-4-(methylthio)-2(1H)-pyrimidinone
CID 973916
N-[(2-chlorophenyl)methyl]-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256684
2-[(6-Methyl-2-oxo-1,2-dihydropyrimidin-4-YL)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 7183972
N-[(2-chlorophenyl)methyl]-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide
CID 7184006
N-[(4-chlorophenyl)methyl]-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide
CID 7185256
N-(4-chlorobenzyl)-2-((2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)thio)acetamide
CID 7185420
N-[(2-chlorophenyl)methyl]-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259082

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide (CID 7184015) is N-[(4-chlorophenyl)methyl]-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide is Cc1cc(SCC(=O)NCc2ccc(Cl)cc2)nc(=O)[nH]1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide?
The InChIKey is PBPHXIMLMLGUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2S/c1-9-6-13(18-14(20)17-9)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-chlorophenyl)methyl]-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide?
N-[(4-chlorophenyl)methyl]-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide has a molecular weight of 323.81 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 7184015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).