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

C19H15Cl2N3O3S — CID 135419171

IUPACN-(2,4-dichlorophenyl)-2-[4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide
SMILESCc1ccccc1-n1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nc(O)cc1=O
InChIInChI=1S/C19H15Cl2N3O3S/c1-11-4-2-3-5-15(11)24-18(27)9-16(25)23-19(24)28-10-17(26)22-14-7-6-12(20)8-13(14)21/h2-9,25H,10H2,1H3,(H,22,26)
InChIKeyVSQFTNYOIMLREL-UHFFFAOYSA-N
MW436.32 g/mol
LogP4.28
Rot. Bonds5

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

N-(2,4-dichlorophenyl)-2-[4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide (PubChem CID 135419171) has the molecular formula C19H15Cl2N3O3S and a molecular weight of 436.32 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-[4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-[4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide
PubChem CID135419171
Molecular FormulaC19H15Cl2N3O3S
Molecular Weight436.32 g/mol
Exact Mass435.02
IUPAC NameN-(2,4-dichlorophenyl)-2-[4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide
SMILESCc1ccccc1-n1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nc(O)cc1=O
InChIInChI=1S/C19H15Cl2N3O3S/c1-11-4-2-3-5-15(11)24-18(27)9-16(25)23-19(24)28-10-17(26)22-14-7-6-12(20)8-13(14)21/h2-9,25H,10H2,1H3,(H,22,26)
InChIKeyVSQFTNYOIMLREL-UHFFFAOYSA-N
XLogP4.28
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.32
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-[4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-[4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide (CID 135419171) is N-(2,4-dichlorophenyl)-2-[4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-[4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-[4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide is Cc1ccccc1-n1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nc(O)cc1=O.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-[4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide?
The InChIKey is VSQFTNYOIMLREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O3S/c1-11-4-2-3-5-15(11)24-18(27)9-16(25)23-19(24)28-10-17(26)22-14-7-6-12(20)8-13(14)21/h2-9,25H,10H2,1H3,(H,22,26).
What are the key properties of N-(2,4-dichlorophenyl)-2-[4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide?
N-(2,4-dichlorophenyl)-2-[4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide has a molecular weight of 436.32 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-[4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 135419171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).