N-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]propanamide

C21H17N3OS2 — CID 1050686

IUPACN-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]propanamide
SMILESCCC(=O)Nc1ccccc1Sc1ncnc2scc(-c3ccccc3)c12
InChIInChI=1S/C21H17N3OS2/c1-2-18(25)24-16-10-6-7-11-17(16)27-21-19-15(14-8-4-3-5-9-14)12-26-20(19)22-13-23-21/h3-13H,2H2,1H3,(H,24,25)
InChIKeyRGXVYXJYRRZNBU-UHFFFAOYSA-N
MW391.52 g/mol
LogP5.86
Rot. Bonds5

About N-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]propanamide

N-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]propanamide (PubChem CID 1050686) has the molecular formula C21H17N3OS2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]propanamide.

Molecular Properties

Compound NameN-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]propanamide
PubChem CID1050686
Molecular FormulaC21H17N3OS2
Molecular Weight391.52 g/mol
Exact Mass391.08
IUPAC NameN-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]propanamide
SMILESCCC(=O)Nc1ccccc1Sc1ncnc2scc(-c3ccccc3)c12
InChIInChI=1S/C21H17N3OS2/c1-2-18(25)24-16-10-6-7-11-17(16)27-21-19-15(14-8-4-3-5-9-14)12-26-20(19)22-13-23-21/h3-13H,2H2,1H3,(H,24,25)
InChIKeyRGXVYXJYRRZNBU-UHFFFAOYSA-N
XLogP5.86
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.52
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]propanamide?
The IUPAC name of N-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]propanamide (CID 1050686) is N-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]propanamide.
What is the SMILES notation for N-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]propanamide?
The canonical SMILES for N-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]propanamide is CCC(=O)Nc1ccccc1Sc1ncnc2scc(-c3ccccc3)c12.
What is the InChIKey of N-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]propanamide?
The InChIKey is RGXVYXJYRRZNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3OS2/c1-2-18(25)24-16-10-6-7-11-17(16)27-21-19-15(14-8-4-3-5-9-14)12-26-20(19)22-13-23-21/h3-13H,2H2,1H3,(H,24,25).
What are the key properties of N-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]propanamide?
N-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]propanamide has a molecular weight of 391.52 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]propanamide is sourced from PubChem (CID 1050686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).