N-(2-methoxyethyl)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

C17H17N3O3S2 — CID 2550098

IUPACN-(2-methoxyethyl)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
SMILESCOCCNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1
InChIInChI=1S/C17H17N3O3S2/c1-23-8-7-18-13(21)10-25-17-19-15(22)14-12(9-24-16(14)20-17)11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyKCSLNWLMRPSCFP-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.51
Rot. Bonds7

About N-(2-methoxyethyl)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

N-(2-methoxyethyl)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 2550098) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID2550098
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC NameN-(2-methoxyethyl)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
SMILESCOCCNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1
InChIInChI=1S/C17H17N3O3S2/c1-23-8-7-18-13(21)10-25-17-19-15(22)14-12(9-24-16(14)20-17)11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyKCSLNWLMRPSCFP-UHFFFAOYSA-N
XLogP2.51
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide (CID 2550098) is N-(2-methoxyethyl)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide is COCCNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1.
What is the InChIKey of N-(2-methoxyethyl)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is KCSLNWLMRPSCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-23-8-7-18-13(21)10-25-17-19-15(22)14-12(9-24-16(14)20-17)11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3,(H,18,21)(H,19,20,22).
What are the key properties of N-(2-methoxyethyl)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide?
N-(2-methoxyethyl)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 375.48 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2550098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).