N-(2,4-dimethoxyphenyl)-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

C14H15N3O5S — CID 864696

IUPACN-(2,4-dimethoxyphenyl)-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2nc(O)cc(=O)[nH]2)c(OC)c1
InChIInChI=1S/C14H15N3O5S/c1-21-8-3-4-9(10(5-8)22-2)15-13(20)7-23-14-16-11(18)6-12(19)17-14/h3-6H,7H2,1-2H3,(H,15,20)(H2,16,17,18,19)
InChIKeyKSPMYCIOEONGJU-UHFFFAOYSA-N
MW337.36 g/mol
LogP1.22
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-(2,4-dimethoxyphenyl)-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 864696) has the molecular formula C14H15N3O5S and a molecular weight of 337.36 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID864696
Molecular FormulaC14H15N3O5S
Molecular Weight337.36 g/mol
Exact Mass337.07
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2nc(O)cc(=O)[nH]2)c(OC)c1
InChIInChI=1S/C14H15N3O5S/c1-21-8-3-4-9(10(5-8)22-2)15-13(20)7-23-14-16-11(18)6-12(19)17-14/h3-6H,7H2,1-2H3,(H,15,20)(H2,16,17,18,19)
InChIKeyKSPMYCIOEONGJU-UHFFFAOYSA-N
XLogP1.22
TPSA113.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-{[3-(4-fluorophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]thio}acetamide
CID 3239306
3,3'-thiobis[N-(2,4-dimethoxyphenyl)propanamide]
CID 2933269
N-(2,4-dimethoxyphenyl)-2-{2-[(4-methoxyphenyl)imino]-3-methyl-4-oxo-1,3-thiazolidin-5-yl}acetamide
CID 2936993
N-(2,4-dimethoxyphenyl)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide
CID 3159758
2-[[6-(2,4-dimethoxyphenyl)-7-oxo-3-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N,N-diethylacetamide
CID 3256619
N-(4-methoxyphenyl)-2-((3-(2-methoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
CID 5098651
2-((4-hydroxy-1-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)-N-(4-methoxyphenyl)acetamide
CID 135412536
6-Hydroxy-1-(2-methoxyphenyl)-2-methylsulfanylpyrimidin-4-one
CID 135420389
2-{[4-hydroxy-1-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
CID 135442412
2-{[4-hydroxy-1-(2-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
CID 135449179
2-{[4-hydroxy-1-(2-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
CID 135449258
2-[(4-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 135485480

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 864696) is N-(2,4-dimethoxyphenyl)-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is COc1ccc(NC(=O)CSc2nc(O)cc(=O)[nH]2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is KSPMYCIOEONGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5S/c1-21-8-3-4-9(10(5-8)22-2)15-13(20)7-23-14-16-11(18)6-12(19)17-14/h3-6H,7H2,1-2H3,(H,15,20)(H2,16,17,18,19).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-(2,4-dimethoxyphenyl)-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 337.36 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 864696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).