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

C19H15N3O2S2 — CID 17497145

IUPACN-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-phenylacetamide
SMILESCN(C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)c1ccccc1
InChIInChI=1S/C19H15N3O2S2/c1-21(13-6-3-2-4-7-13)16(23)10-22-12-20-18-17(19(22)24)14(11-26-18)15-8-5-9-25-15/h2-9,11-12H,10H2,1H3
InChIKeyBEHNKAZGNMQKLX-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.85
Rot. Bonds4

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

N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-phenylacetamide (PubChem CID 17497145) has the molecular formula C19H15N3O2S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-phenylacetamide
PubChem CID17497145
Molecular FormulaC19H15N3O2S2
Molecular Weight381.48 g/mol
Exact Mass381.06
IUPAC NameN-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-phenylacetamide
SMILESCN(C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)c1ccccc1
InChIInChI=1S/C19H15N3O2S2/c1-21(13-6-3-2-4-7-13)16(23)10-22-12-20-18-17(19(22)24)14(11-26-18)15-8-5-9-25-15/h2-9,11-12H,10H2,1H3
InChIKeyBEHNKAZGNMQKLX-UHFFFAOYSA-N
XLogP3.85
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 8782327
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N-(furan-2-ylmethyl)-N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
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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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2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-pentan-3-ylacetamide
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3-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)propanamide
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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-phenylacetamide?
The IUPAC name of N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-phenylacetamide (CID 17497145) is N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-phenylacetamide?
The canonical SMILES for N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-phenylacetamide is CN(C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)c1ccccc1.
What is the InChIKey of N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-phenylacetamide?
The InChIKey is BEHNKAZGNMQKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S2/c1-21(13-6-3-2-4-7-13)16(23)10-22-12-20-18-17(19(22)24)14(11-26-18)15-8-5-9-25-15/h2-9,11-12H,10H2,1H3.
What are the key properties of N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-phenylacetamide?
N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-phenylacetamide has a molecular weight of 381.48 g/mol, XLogP of 3.85, 4 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-phenylacetamide is sourced from PubChem (CID 17497145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).