2-(4-oxo-3-propylthieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide

C20H23N3O2S2 — CID 46921535

IUPAC2-(4-oxo-3-propylthieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
SMILESCCCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nc2ccsc2c1=O
InChIInChI=1S/C20H23N3O2S2/c1-5-7-23-19(25)18-15(6-8-26-18)21-20(23)27-11-16(24)22-17-13(3)9-12(2)10-14(17)4/h6,8-10H,5,7,11H2,1-4H3,(H,22,24)
InChIKeyMSYMBLJBWUNAOD-UHFFFAOYSA-N
MW401.56 g/mol
LogP4.52
Rot. Bonds6

About 2-(4-oxo-3-propylthieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide

2-(4-oxo-3-propylthieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 46921535) has the molecular formula C20H23N3O2S2 and a molecular weight of 401.56 g/mol. Its IUPAC name is 2-(4-oxo-3-propylthieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-oxo-3-propylthieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID46921535
Molecular FormulaC20H23N3O2S2
Molecular Weight401.56 g/mol
Exact Mass401.12
IUPAC Name2-(4-oxo-3-propylthieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
SMILESCCCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nc2ccsc2c1=O
InChIInChI=1S/C20H23N3O2S2/c1-5-7-23-19(25)18-15(6-8-26-18)21-20(23)27-11-16(24)22-17-13(3)9-12(2)10-14(17)4/h6,8-10H,5,7,11H2,1-4H3,(H,22,24)
InChIKeyMSYMBLJBWUNAOD-UHFFFAOYSA-N
XLogP4.52
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(2-methylpropyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 46922284
N-(5-chloro-2-methylphenyl)-2-(4-oxo-3-propylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 46921536
N-(2,6-dimethylphenyl)-2-[3-(2-methoxyethyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide
CID 46921840
2-[3-(2-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 50926188
N-(2,4-dimethylphenyl)-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 35198569
2-(4-oxo-3-propylthieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 46921601
methyl 2-[[2-(4-oxo-3-propylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate
CID 46921523
2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 35198091
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 35205907
2-[3-(2-methoxyethyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide
CID 46921831
N-tert-butyl-2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 46922510
N-(4-acetamidophenyl)-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 35198855

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3-propylthieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(4-oxo-3-propylthieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide (CID 46921535) is 2-(4-oxo-3-propylthieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(4-oxo-3-propylthieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(4-oxo-3-propylthieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide is CCCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nc2ccsc2c1=O.
What is the InChIKey of 2-(4-oxo-3-propylthieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is MSYMBLJBWUNAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S2/c1-5-7-23-19(25)18-15(6-8-26-18)21-20(23)27-11-16(24)22-17-13(3)9-12(2)10-14(17)4/h6,8-10H,5,7,11H2,1-4H3,(H,22,24).
What are the key properties of 2-(4-oxo-3-propylthieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
2-(4-oxo-3-propylthieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 401.56 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3-propylthieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 46921535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).