N-(2-methoxyphenyl)-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)sulfanylacetamide

C15H15N3O3S — CID 78497257

IUPACN-(2-methoxyphenyl)-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)sulfanylacetamide
SMILESC=C1C(=O)N=C(SCC(=O)Nc2ccccc2OC)N=C1C
InChIInChI=1S/C15H15N3O3S/c1-9-10(2)16-15(18-14(9)20)22-8-13(19)17-11-6-4-5-7-12(11)21-3/h4-7H,1,8H2,2-3H3,(H,17,19)
InChIKeyMMEDIXFTLGWBKR-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.28
Rot. Bonds4

About N-(2-methoxyphenyl)-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)sulfanylacetamide

N-(2-methoxyphenyl)-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)sulfanylacetamide (PubChem CID 78497257) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)sulfanylacetamide
PubChem CID78497257
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-(2-methoxyphenyl)-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)sulfanylacetamide
SMILESC=C1C(=O)N=C(SCC(=O)Nc2ccccc2OC)N=C1C
InChIInChI=1S/C15H15N3O3S/c1-9-10(2)16-15(18-14(9)20)22-8-13(19)17-11-6-4-5-7-12(11)21-3/h4-7H,1,8H2,2-3H3,(H,17,19)
InChIKeyMMEDIXFTLGWBKR-UHFFFAOYSA-N
XLogP2.28
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844
2-(4-tert-butylphenyl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 7847474
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 1251511
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2661368
N-(2-methoxyphenyl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide
CID 4231131
N-(2-methoxyphenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 16956698
ethyl 4-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-5H-pyrimidine-5-carboxylate
CID 78458254
methyl 4-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate
CID 38839354
N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide
CID 46357608
2-[[4-amino-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2043600
2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 864272
N-(2-methoxyphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135518456

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)sulfanylacetamide (CID 78497257) is N-(2-methoxyphenyl)-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)sulfanylacetamide is C=C1C(=O)N=C(SCC(=O)Nc2ccccc2OC)N=C1C.
What is the InChIKey of N-(2-methoxyphenyl)-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)sulfanylacetamide?
The InChIKey is MMEDIXFTLGWBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-9-10(2)16-15(18-14(9)20)22-8-13(19)17-11-6-4-5-7-12(11)21-3/h4-7H,1,8H2,2-3H3,(H,17,19).
What are the key properties of N-(2-methoxyphenyl)-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)sulfanylacetamide?
N-(2-methoxyphenyl)-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)sulfanylacetamide has a molecular weight of 317.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 78497257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).