2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-di(propan-2-yl)acetamide

C20H23N3OS2 — CID 2101735

IUPAC2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CSc1ncnc2sc(-c3ccccc3)cc12)C(C)C
InChIInChI=1S/C20H23N3OS2/c1-13(2)23(14(3)4)18(24)11-25-19-16-10-17(15-8-6-5-7-9-15)26-20(16)22-12-21-19/h5-10,12-14H,11H2,1-4H3
InChIKeyMMRUZTXZFSDSEU-UHFFFAOYSA-N
MW385.56 g/mol
LogP5.10
Rot. Bonds6

About 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-di(propan-2-yl)acetamide

2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-di(propan-2-yl)acetamide (PubChem CID 2101735) has the molecular formula C20H23N3OS2 and a molecular weight of 385.56 g/mol. Its IUPAC name is 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
PubChem CID2101735
Molecular FormulaC20H23N3OS2
Molecular Weight385.56 g/mol
Exact Mass385.13
IUPAC Name2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CSc1ncnc2sc(-c3ccccc3)cc12)C(C)C
InChIInChI=1S/C20H23N3OS2/c1-13(2)23(14(3)4)18(24)11-25-19-16-10-17(15-8-6-5-7-9-15)26-20(16)22-12-21-19/h5-10,12-14H,11H2,1-4H3
InChIKeyMMRUZTXZFSDSEU-UHFFFAOYSA-N
XLogP5.10
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.56
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-di(propan-2-yl)acetamide (CID 2101735) is 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)CSc1ncnc2sc(-c3ccccc3)cc12)C(C)C.
What is the InChIKey of 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-di(propan-2-yl)acetamide?
The InChIKey is MMRUZTXZFSDSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS2/c1-13(2)23(14(3)4)18(24)11-25-19-16-10-17(15-8-6-5-7-9-15)26-20(16)22-12-21-19/h5-10,12-14H,11H2,1-4H3.
What are the key properties of 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-di(propan-2-yl)acetamide?
2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-di(propan-2-yl)acetamide has a molecular weight of 385.56 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 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,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 2101735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).