2-[4-(2-benzyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)piperidin-1-yl]acetamide

C22H26N4O2S — CID 16672546

IUPAC2-[4-(2-benzyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)piperidin-1-yl]acetamide
SMILESCc1sc2nc(Cc3ccccc3)n(C3CCN(CC(N)=O)CC3)c(=O)c2c1C
InChIInChI=1S/C22H26N4O2S/c1-14-15(2)29-21-20(14)22(28)26(17-8-10-25(11-9-17)13-18(23)27)19(24-21)12-16-6-4-3-5-7-16/h3-7,17H,8-13H2,1-2H3,(H2,23,27)
InChIKeyYUUQQTMOMSWGIE-UHFFFAOYSA-N
MW410.54 g/mol
LogP2.79
Rot. Bonds5

About 2-[4-(2-benzyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)piperidin-1-yl]acetamide

2-[4-(2-benzyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)piperidin-1-yl]acetamide (PubChem CID 16672546) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is 2-[4-(2-benzyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2-benzyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)piperidin-1-yl]acetamide
PubChem CID16672546
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC Name2-[4-(2-benzyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)piperidin-1-yl]acetamide
SMILESCc1sc2nc(Cc3ccccc3)n(C3CCN(CC(N)=O)CC3)c(=O)c2c1C
InChIInChI=1S/C22H26N4O2S/c1-14-15(2)29-21-20(14)22(28)26(17-8-10-25(11-9-17)13-18(23)27)19(24-21)12-16-6-4-3-5-7-16/h3-7,17H,8-13H2,1-2H3,(H2,23,27)
InChIKeyYUUQQTMOMSWGIE-UHFFFAOYSA-N
XLogP2.79
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2-benzyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)piperidin-1-yl]acetamide 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-[4-(2-benzyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-(2-benzyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)piperidin-1-yl]acetamide (CID 16672546) is 2-[4-(2-benzyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(2-benzyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-(2-benzyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)piperidin-1-yl]acetamide is Cc1sc2nc(Cc3ccccc3)n(C3CCN(CC(N)=O)CC3)c(=O)c2c1C.
What is the InChIKey of 2-[4-(2-benzyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)piperidin-1-yl]acetamide?
The InChIKey is YUUQQTMOMSWGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-14-15(2)29-21-20(14)22(28)26(17-8-10-25(11-9-17)13-18(23)27)19(24-21)12-16-6-4-3-5-7-16/h3-7,17H,8-13H2,1-2H3,(H2,23,27).
What are the key properties of 2-[4-(2-benzyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)piperidin-1-yl]acetamide?
2-[4-(2-benzyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)piperidin-1-yl]acetamide has a molecular weight of 410.54 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-benzyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 16672546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).