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

C16H15N3O3S2 — CID 135657738

IUPACN-(2-ethoxyphenyl)-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCOc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C16H15N3O3S2/c1-2-22-12-6-4-3-5-10(12)17-13(20)9-24-16-18-11-7-8-23-14(11)15(21)19-16/h3-8H,2,9H2,1H3,(H,17,20)(H,18,19,21)
InChIKeyIMKURAXVLPOUFY-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.11
Rot. Bonds6

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

N-(2-ethoxyphenyl)-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135657738) has the molecular formula C16H15N3O3S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135657738
Molecular FormulaC16H15N3O3S2
Molecular Weight361.45 g/mol
Exact Mass361.06
IUPAC NameN-(2-ethoxyphenyl)-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCOc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C16H15N3O3S2/c1-2-22-12-6-4-3-5-10(12)17-13(20)9-24-16-18-11-7-8-23-14(11)15(21)19-16/h3-8H,2,9H2,1H3,(H,17,20)(H,18,19,21)
InChIKeyIMKURAXVLPOUFY-UHFFFAOYSA-N
XLogP3.11
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 40738432
N-(2-ethoxyphenyl)-2-[[5-(4-ethoxyphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide (CID 135657738) is N-(2-ethoxyphenyl)-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide is CCOc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)[nH]1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is IMKURAXVLPOUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S2/c1-2-22-12-6-4-3-5-10(12)17-13(20)9-24-16-18-11-7-8-23-14(11)15(21)19-16/h3-8H,2,9H2,1H3,(H,17,20)(H,18,19,21).
What are the key properties of N-(2-ethoxyphenyl)-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide?
N-(2-ethoxyphenyl)-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 361.45 g/mol, XLogP of 3.11, 6 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[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135657738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).