N-(3-methoxyphenyl)-2-(5-methylidene-2-oxopyrimidin-4-yl)sulfanylacetamide

C14H13N3O3S — CID 73330121

IUPACN-(3-methoxyphenyl)-2-(5-methylidene-2-oxopyrimidin-4-yl)sulfanylacetamide
SMILESC=C1C=NC(=O)N=C1SCC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C14H13N3O3S/c1-9-7-15-14(19)17-13(9)21-8-12(18)16-10-4-3-5-11(6-10)20-2/h3-7H,1,8H2,2H3,(H,16,18)
InChIKeyOOETZUJFPHRAEH-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.53
Rot. Bonds4

About N-(3-methoxyphenyl)-2-(5-methylidene-2-oxopyrimidin-4-yl)sulfanylacetamide

N-(3-methoxyphenyl)-2-(5-methylidene-2-oxopyrimidin-4-yl)sulfanylacetamide (PubChem CID 73330121) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(5-methylidene-2-oxopyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(5-methylidene-2-oxopyrimidin-4-yl)sulfanylacetamide
PubChem CID73330121
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC NameN-(3-methoxyphenyl)-2-(5-methylidene-2-oxopyrimidin-4-yl)sulfanylacetamide
SMILESC=C1C=NC(=O)N=C1SCC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C14H13N3O3S/c1-9-7-15-14(19)17-13(9)21-8-12(18)16-10-4-3-5-11(6-10)20-2/h3-7H,1,8H2,2H3,(H,16,18)
InChIKeyOOETZUJFPHRAEH-UHFFFAOYSA-N
XLogP2.53
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 7799539
2-(2-bromophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 92513721
2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(3-methoxyphenyl)acetamide
CID 16898885
2-(2-acetamidophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 126181557
N-(3-methoxyphenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19712816
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
N-(3-methoxyphenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4534088
2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 24706009
2-(2-aminobutylsulfanyl)-N-(3-methoxyphenyl)acetamide
CID 66231284
2-[4-hydroxy-5-methyl-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 135465290
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 1071790
N-(3-methoxyphenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502738

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(5-methylidene-2-oxopyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(5-methylidene-2-oxopyrimidin-4-yl)sulfanylacetamide (CID 73330121) is N-(3-methoxyphenyl)-2-(5-methylidene-2-oxopyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(5-methylidene-2-oxopyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(5-methylidene-2-oxopyrimidin-4-yl)sulfanylacetamide is C=C1C=NC(=O)N=C1SCC(=O)Nc1cccc(OC)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(5-methylidene-2-oxopyrimidin-4-yl)sulfanylacetamide?
The InChIKey is OOETZUJFPHRAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-9-7-15-14(19)17-13(9)21-8-12(18)16-10-4-3-5-11(6-10)20-2/h3-7H,1,8H2,2H3,(H,16,18).
What are the key properties of N-(3-methoxyphenyl)-2-(5-methylidene-2-oxopyrimidin-4-yl)sulfanylacetamide?
N-(3-methoxyphenyl)-2-(5-methylidene-2-oxopyrimidin-4-yl)sulfanylacetamide has a molecular weight of 303.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(5-methylidene-2-oxopyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 73330121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).