2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

C25H23N3OS2 — CID 16541513

IUPAC2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESCC(Sc1ncnc2sc(-c3ccccc3)cc12)C(=O)NC1CCCc2ccccc21
InChIInChI=1S/C25H23N3OS2/c1-16(23(29)28-21-13-7-11-17-8-5-6-12-19(17)21)30-24-20-14-22(18-9-3-2-4-10-18)31-25(20)27-15-26-24/h2-6,8-10,12,14-16,21H,7,11,13H2,1H3,(H,28,29)
InChIKeyOZSRIFQDCIQIAA-UHFFFAOYSA-N
MW445.61 g/mol
LogP6.03
Rot. Bonds5

About 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (PubChem CID 16541513) has the molecular formula C25H23N3OS2 and a molecular weight of 445.61 g/mol. Its IUPAC name is 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.

Molecular Properties

Compound Name2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
PubChem CID16541513
Molecular FormulaC25H23N3OS2
Molecular Weight445.61 g/mol
Exact Mass445.13
IUPAC Name2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESCC(Sc1ncnc2sc(-c3ccccc3)cc12)C(=O)NC1CCCc2ccccc21
InChIInChI=1S/C25H23N3OS2/c1-16(23(29)28-21-13-7-11-17-8-5-6-12-19(17)21)30-24-20-14-22(18-9-3-2-4-10-18)31-25(20)27-15-26-24/h2-6,8-10,12,14-16,21H,7,11,13H2,1H3,(H,28,29)
InChIKeyOZSRIFQDCIQIAA-UHFFFAOYSA-N
XLogP6.03
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.61
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The IUPAC name of 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (CID 16541513) is 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.
What is the SMILES notation for 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The canonical SMILES for 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is CC(Sc1ncnc2sc(-c3ccccc3)cc12)C(=O)NC1CCCc2ccccc21.
What is the InChIKey of 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The InChIKey is OZSRIFQDCIQIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3OS2/c1-16(23(29)28-21-13-7-11-17-8-5-6-12-19(17)21)30-24-20-14-22(18-9-3-2-4-10-18)31-25(20)27-15-26-24/h2-6,8-10,12,14-16,21H,7,11,13H2,1H3,(H,28,29).
What are the key properties of 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide has a molecular weight of 445.61 g/mol, XLogP of 6.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is sourced from PubChem (CID 16541513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).