2-phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

C20H15N3OS2 — CID 18137836

IUPAC2-phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESNC(=O)C(Sc1ncnc2sc(-c3ccccc3)cc12)c1ccccc1
InChIInChI=1S/C20H15N3OS2/c21-18(24)17(14-9-5-2-6-10-14)26-20-15-11-16(13-7-3-1-4-8-13)25-19(15)22-12-23-20/h1-12,17H,(H2,21,24)
InChIKeyYRNSOLUZUPKSCU-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.68
Rot. Bonds5

About 2-phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

2-phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 18137836) has the molecular formula C20H15N3OS2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID18137836
Molecular FormulaC20H15N3OS2
Molecular Weight377.49 g/mol
Exact Mass377.07
IUPAC Name2-phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESNC(=O)C(Sc1ncnc2sc(-c3ccccc3)cc12)c1ccccc1
InChIInChI=1S/C20H15N3OS2/c21-18(24)17(14-9-5-2-6-10-14)26-20-15-11-16(13-7-3-1-4-8-13)25-19(15)22-12-23-20/h1-12,17H,(H2,21,24)
InChIKeyYRNSOLUZUPKSCU-UHFFFAOYSA-N
XLogP4.68
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of 2-phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (CID 18137836) is 2-phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for 2-phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for 2-phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is NC(=O)C(Sc1ncnc2sc(-c3ccccc3)cc12)c1ccccc1.
What is the InChIKey of 2-phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is YRNSOLUZUPKSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3OS2/c21-18(24)17(14-9-5-2-6-10-14)26-20-15-11-16(13-7-3-1-4-8-13)25-19(15)22-12-23-20/h1-12,17H,(H2,21,24).
What are the key properties of 2-phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
2-phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 377.49 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 18137836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).