N-(2,4-dimethoxyphenyl)-2-[(5-ethyl-4-methyl-6-oxo-5H-pyrimidin-2-yl)sulfanyl]acetamide

C17H21N3O4S — CID 78309849

IUPACN-(2,4-dimethoxyphenyl)-2-[(5-ethyl-4-methyl-6-oxo-5H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCC1C(=O)N=C(SCC(=O)Nc2ccc(OC)cc2OC)N=C1C
InChIInChI=1S/C17H21N3O4S/c1-5-12-10(2)18-17(20-16(12)22)25-9-15(21)19-13-7-6-11(23-3)8-14(13)24-4/h6-8,12H,5,9H2,1-4H3,(H,19,21)
InChIKeyCREXIUJNQPYKQR-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.76
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-2-[(5-ethyl-4-methyl-6-oxo-5H-pyrimidin-2-yl)sulfanyl]acetamide

N-(2,4-dimethoxyphenyl)-2-[(5-ethyl-4-methyl-6-oxo-5H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 78309849) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[(5-ethyl-4-methyl-6-oxo-5H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[(5-ethyl-4-methyl-6-oxo-5H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID78309849
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[(5-ethyl-4-methyl-6-oxo-5H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCC1C(=O)N=C(SCC(=O)Nc2ccc(OC)cc2OC)N=C1C
InChIInChI=1S/C17H21N3O4S/c1-5-12-10(2)18-17(20-16(12)22)25-9-15(21)19-13-7-6-11(23-3)8-14(13)24-4/h6-8,12H,5,9H2,1-4H3,(H,19,21)
InChIKeyCREXIUJNQPYKQR-UHFFFAOYSA-N
XLogP2.76
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3941969
N-(2,4-dimethoxyphenyl)-2-[[5-[(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 74925517
N-(2,4-dimethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 1081017
3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
N-(2,4-dimethoxyphenyl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1451361
N-(2,4-dimethoxyphenyl)-2-(3-ethyl-5,7-dimethylquinolin-2-yl)sulfanylacetamide
CID 3208160
N-(2,4-dimethoxyphenyl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 6459909
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide
CID 8674537
N-(2,4-dimethoxyphenyl)-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6500679
N-(2,4-dimethoxyphenyl)-2-[(7-ethyl-1,3-dimethyl-2,4-dioxo-4aH-pyrimido[4,5-d]pyrimidin-1-ium-5-yl)sulfanyl]acetamide
CID 73450436
N-(2,4-dimethoxyphenyl)-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2689529
N-(2,4-dimethoxyphenyl)-2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 1175422

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[(5-ethyl-4-methyl-6-oxo-5H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[(5-ethyl-4-methyl-6-oxo-5H-pyrimidin-2-yl)sulfanyl]acetamide (CID 78309849) is N-(2,4-dimethoxyphenyl)-2-[(5-ethyl-4-methyl-6-oxo-5H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[(5-ethyl-4-methyl-6-oxo-5H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[(5-ethyl-4-methyl-6-oxo-5H-pyrimidin-2-yl)sulfanyl]acetamide is CCC1C(=O)N=C(SCC(=O)Nc2ccc(OC)cc2OC)N=C1C.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[(5-ethyl-4-methyl-6-oxo-5H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is CREXIUJNQPYKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-5-12-10(2)18-17(20-16(12)22)25-9-15(21)19-13-7-6-11(23-3)8-14(13)24-4/h6-8,12H,5,9H2,1-4H3,(H,19,21).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[(5-ethyl-4-methyl-6-oxo-5H-pyrimidin-2-yl)sulfanyl]acetamide?
N-(2,4-dimethoxyphenyl)-2-[(5-ethyl-4-methyl-6-oxo-5H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 363.44 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[(5-ethyl-4-methyl-6-oxo-5H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 78309849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).