N-(4-chlorophenyl)-2-[4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide

C19H16ClN3O3S — CID 135547765

IUPACN-(4-chlorophenyl)-2-[4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide
SMILESCc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nc(O)cc2=O)cc1
InChIInChI=1S/C19H16ClN3O3S/c1-12-2-8-15(9-3-12)23-18(26)10-16(24)22-19(23)27-11-17(25)21-14-6-4-13(20)5-7-14/h2-10,24H,11H2,1H3,(H,21,25)
InChIKeyHEUIHLYFEGDAKW-UHFFFAOYSA-N
MW401.88 g/mol
LogP3.63
Rot. Bonds5

About N-(4-chlorophenyl)-2-[4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide

N-(4-chlorophenyl)-2-[4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide (PubChem CID 135547765) has the molecular formula C19H16ClN3O3S and a molecular weight of 401.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide
PubChem CID135547765
Molecular FormulaC19H16ClN3O3S
Molecular Weight401.88 g/mol
Exact Mass401.06
IUPAC NameN-(4-chlorophenyl)-2-[4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide
SMILESCc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nc(O)cc2=O)cc1
InChIInChI=1S/C19H16ClN3O3S/c1-12-2-8-15(9-3-12)23-18(26)10-16(24)22-19(23)27-11-17(25)21-14-6-4-13(20)5-7-14/h2-10,24H,11H2,1H3,(H,21,25)
InChIKeyHEUIHLYFEGDAKW-UHFFFAOYSA-N
XLogP3.63
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide (CID 135547765) is N-(4-chlorophenyl)-2-[4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide is Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nc(O)cc2=O)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide?
The InChIKey is HEUIHLYFEGDAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c1-12-2-8-15(9-3-12)23-18(26)10-16(24)22-19(23)27-11-17(25)21-14-6-4-13(20)5-7-14/h2-10,24H,11H2,1H3,(H,21,25).
What are the key properties of N-(4-chlorophenyl)-2-[4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide?
N-(4-chlorophenyl)-2-[4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide has a molecular weight of 401.88 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 135547765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).