N-(2-ethoxyphenyl)-2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-2-phenylacetamide

C22H19N3O3S2 — CID 18130809

IUPACN-(2-ethoxyphenyl)-2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)C(Sc1nc2sccc2c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C22H19N3O3S2/c1-2-28-17-11-7-6-10-16(17)23-20(27)18(14-8-4-3-5-9-14)30-22-24-19(26)15-12-13-29-21(15)25-22/h3-13,18H,2H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyZATDEPCSHDJITK-UHFFFAOYSA-N
MW437.55 g/mol
LogP4.86
Rot. Bonds7

About N-(2-ethoxyphenyl)-2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-2-phenylacetamide

N-(2-ethoxyphenyl)-2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-2-phenylacetamide (PubChem CID 18130809) has the molecular formula C22H19N3O3S2 and a molecular weight of 437.55 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-2-phenylacetamide
PubChem CID18130809
Molecular FormulaC22H19N3O3S2
Molecular Weight437.55 g/mol
Exact Mass437.09
IUPAC NameN-(2-ethoxyphenyl)-2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)C(Sc1nc2sccc2c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C22H19N3O3S2/c1-2-28-17-11-7-6-10-16(17)23-20(27)18(14-8-4-3-5-9-14)30-22-24-19(26)15-12-13-29-21(15)25-22/h3-13,18H,2H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyZATDEPCSHDJITK-UHFFFAOYSA-N
XLogP4.86
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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(2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)sulfanyl-2-phenylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-2-phenylacetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-2-phenylacetamide (CID 18130809) is N-(2-ethoxyphenyl)-2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-2-phenylacetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-2-phenylacetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-2-phenylacetamide is CCOc1ccccc1NC(=O)C(Sc1nc2sccc2c(=O)[nH]1)c1ccccc1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-2-phenylacetamide?
The InChIKey is ZATDEPCSHDJITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S2/c1-2-28-17-11-7-6-10-16(17)23-20(27)18(14-8-4-3-5-9-14)30-22-24-19(26)15-12-13-29-21(15)25-22/h3-13,18H,2H2,1H3,(H,23,27)(H,24,25,26).
What are the key properties of N-(2-ethoxyphenyl)-2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-2-phenylacetamide?
N-(2-ethoxyphenyl)-2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-2-phenylacetamide has a molecular weight of 437.55 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-2-phenylacetamide is sourced from PubChem (CID 18130809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).