N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide

C21H19N3O2S2 — CID 43022059

IUPACN-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide
SMILESCC(c1ccccc1)N(C)C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O
InChIInChI=1S/C21H19N3O2S2/c1-14(15-7-4-3-5-8-15)23(2)18(25)11-24-13-22-20-19(21(24)26)16(12-28-20)17-9-6-10-27-17/h3-10,12-14H,11H2,1-2H3
InChIKeyGCLQWLKJNXPPNE-UHFFFAOYSA-N
MW409.54 g/mol
LogP4.41
Rot. Bonds5

About N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide

N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide (PubChem CID 43022059) has the molecular formula C21H19N3O2S2 and a molecular weight of 409.54 g/mol. Its IUPAC name is N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide
PubChem CID43022059
Molecular FormulaC21H19N3O2S2
Molecular Weight409.54 g/mol
Exact Mass409.09
IUPAC NameN-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide
SMILESCC(c1ccccc1)N(C)C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O
InChIInChI=1S/C21H19N3O2S2/c1-14(15-7-4-3-5-8-15)23(2)18(25)11-24-13-22-20-19(21(24)26)16(12-28-20)17-9-6-10-27-17/h3-10,12-14H,11H2,1-2H3
InChIKeyGCLQWLKJNXPPNE-UHFFFAOYSA-N
XLogP4.41
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.54
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-phenylacetamide
CID 17497145
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CID 46819114
N-[1-(4-fluorophenyl)ethyl]-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-methylacetamide
CID 24565020
2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide
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N-(furan-2-ylmethyl)-N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 17418152
N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
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N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119549909
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 40820842
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CID 53497696
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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide?
The IUPAC name of N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide (CID 43022059) is N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide is CC(c1ccccc1)N(C)C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O.
What is the InChIKey of N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide?
The InChIKey is GCLQWLKJNXPPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S2/c1-14(15-7-4-3-5-8-15)23(2)18(25)11-24-13-22-20-19(21(24)26)16(12-28-20)17-9-6-10-27-17/h3-10,12-14H,11H2,1-2H3.
What are the key properties of N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide?
N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide has a molecular weight of 409.54 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 43022059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).