N-(2,4-dichlorophenyl)-2-[1-(3,4-dichlorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanylacetamide

C18H11Cl4N3O3S — CID 135447343

IUPACN-(2,4-dichlorophenyl)-2-[1-(3,4-dichlorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nc(O)cc(=O)n1-c1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H11Cl4N3O3S/c19-9-1-4-14(13(22)5-9)23-16(27)8-29-18-24-15(26)7-17(28)25(18)10-2-3-11(20)12(21)6-10/h1-7,26H,8H2,(H,23,27)
InChIKeyDXNKOANFAUBMKH-UHFFFAOYSA-N
MW491.18 g/mol
LogP5.28
Rot. Bonds5

About N-(2,4-dichlorophenyl)-2-[1-(3,4-dichlorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanylacetamide

N-(2,4-dichlorophenyl)-2-[1-(3,4-dichlorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanylacetamide (PubChem CID 135447343) has the molecular formula C18H11Cl4N3O3S and a molecular weight of 491.18 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-[1-(3,4-dichlorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-[1-(3,4-dichlorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanylacetamide
PubChem CID135447343
Molecular FormulaC18H11Cl4N3O3S
Molecular Weight491.18 g/mol
Exact Mass488.93
IUPAC NameN-(2,4-dichlorophenyl)-2-[1-(3,4-dichlorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nc(O)cc(=O)n1-c1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H11Cl4N3O3S/c19-9-1-4-14(13(22)5-9)23-16(27)8-29-18-24-15(26)7-17(28)25(18)10-2-3-11(20)12(21)6-10/h1-7,26H,8H2,(H,23,27)
InChIKeyDXNKOANFAUBMKH-UHFFFAOYSA-N
XLogP5.28
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.18
LogP ≤ 55.28
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-[1-(3,4-dichlorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-[1-(3,4-dichlorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanylacetamide (CID 135447343) is N-(2,4-dichlorophenyl)-2-[1-(3,4-dichlorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-[1-(3,4-dichlorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-[1-(3,4-dichlorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanylacetamide is O=C(CSc1nc(O)cc(=O)n1-c1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-[1-(3,4-dichlorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanylacetamide?
The InChIKey is DXNKOANFAUBMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl4N3O3S/c19-9-1-4-14(13(22)5-9)23-16(27)8-29-18-24-15(26)7-17(28)25(18)10-2-3-11(20)12(21)6-10/h1-7,26H,8H2,(H,23,27).
What are the key properties of N-(2,4-dichlorophenyl)-2-[1-(3,4-dichlorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanylacetamide?
N-(2,4-dichlorophenyl)-2-[1-(3,4-dichlorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanylacetamide has a molecular weight of 491.18 g/mol, XLogP of 5.28, 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-[1-(3,4-dichlorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 135447343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).