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

C19H16ClN3O4S — CID 135436002

IUPACN-(4-chlorophenyl)-2-[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide
SMILESCOc1ccccc1-n1c(SCC(=O)Nc2ccc(Cl)cc2)nc(O)cc1=O
InChIInChI=1S/C19H16ClN3O4S/c1-27-15-5-3-2-4-14(15)23-18(26)10-16(24)22-19(23)28-11-17(25)21-13-8-6-12(20)7-9-13/h2-10,24H,11H2,1H3,(H,21,25)
InChIKeyRKXYWVYQPBXOBQ-UHFFFAOYSA-N
MW417.87 g/mol
LogP3.33
Rot. Bonds6

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

N-(4-chlorophenyl)-2-[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide (PubChem CID 135436002) has the molecular formula C19H16ClN3O4S and a molecular weight of 417.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide
PubChem CID135436002
Molecular FormulaC19H16ClN3O4S
Molecular Weight417.87 g/mol
Exact Mass417.06
IUPAC NameN-(4-chlorophenyl)-2-[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide
SMILESCOc1ccccc1-n1c(SCC(=O)Nc2ccc(Cl)cc2)nc(O)cc1=O
InChIInChI=1S/C19H16ClN3O4S/c1-27-15-5-3-2-4-14(15)23-18(26)10-16(24)22-19(23)28-11-17(25)21-13-8-6-12(20)7-9-13/h2-10,24H,11H2,1H3,(H,21,25)
InChIKeyRKXYWVYQPBXOBQ-UHFFFAOYSA-N
XLogP3.33
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.87
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide
CID 135408913
N-(4-chlorophenyl)-2-(4-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
CID 4656952
N-(4-bromophenyl)-2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4782004
N-(4-chlorophenyl)-2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16538626
2-[4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 135427541
2-[7-chloro-3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 29330073
N-[(4-chlorophenyl)methyl]-2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4826900
2-[7-chloro-3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 43023924
2-[7-chloro-3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 30929284
N-(3-chloro-4-methylphenyl)-2-[[4-(2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1157473
2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-phenylacetamide
CID 135431911
2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 135471749

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide (CID 135436002) is N-(4-chlorophenyl)-2-[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide is COc1ccccc1-n1c(SCC(=O)Nc2ccc(Cl)cc2)nc(O)cc1=O.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide?
The InChIKey is RKXYWVYQPBXOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O4S/c1-27-15-5-3-2-4-14(15)23-18(26)10-16(24)22-19(23)28-11-17(25)21-13-8-6-12(20)7-9-13/h2-10,24H,11H2,1H3,(H,21,25).
What are the key properties of N-(4-chlorophenyl)-2-[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide?
N-(4-chlorophenyl)-2-[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide has a molecular weight of 417.87 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 135436002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).