N-phenylmethoxy-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide

C15H13N3O2S2 — CID 51280456

IUPACN-phenylmethoxy-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2ccsc12)NOCc1ccccc1
InChIInChI=1S/C15H13N3O2S2/c19-13(18-20-8-11-4-2-1-3-5-11)9-22-15-14-12(6-7-21-14)16-10-17-15/h1-7,10H,8-9H2,(H,18,19)
InChIKeyWIOTVBIUWWLERX-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.03
Rot. Bonds6

About N-phenylmethoxy-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide

N-phenylmethoxy-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide (PubChem CID 51280456) has the molecular formula C15H13N3O2S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-phenylmethoxy-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-phenylmethoxy-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
PubChem CID51280456
Molecular FormulaC15H13N3O2S2
Molecular Weight331.42 g/mol
Exact Mass331.04
IUPAC NameN-phenylmethoxy-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2ccsc12)NOCc1ccccc1
InChIInChI=1S/C15H13N3O2S2/c19-13(18-20-8-11-4-2-1-3-5-11)9-22-15-14-12(6-7-21-14)16-10-17-15/h1-7,10H,8-9H2,(H,18,19)
InChIKeyWIOTVBIUWWLERX-UHFFFAOYSA-N
XLogP3.03
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxy-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
The IUPAC name of N-phenylmethoxy-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide (CID 51280456) is N-phenylmethoxy-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-phenylmethoxy-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
The canonical SMILES for N-phenylmethoxy-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide is O=C(CSc1ncnc2ccsc12)NOCc1ccccc1.
What is the InChIKey of N-phenylmethoxy-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
The InChIKey is WIOTVBIUWWLERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S2/c19-13(18-20-8-11-4-2-1-3-5-11)9-22-15-14-12(6-7-21-14)16-10-17-15/h1-7,10H,8-9H2,(H,18,19).
What are the key properties of N-phenylmethoxy-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
N-phenylmethoxy-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide has a molecular weight of 331.42 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide is sourced from PubChem (CID 51280456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).