N-[[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methyl]benzamide

C21H24N4OS — CID 133403725

IUPACN-[[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methyl]benzamide
SMILESCCc1nc(N2CCCCC2CNC(=O)c2ccccc2)c2ccsc2n1
InChIInChI=1S/C21H24N4OS/c1-2-18-23-19(17-11-13-27-21(17)24-18)25-12-7-6-10-16(25)14-22-20(26)15-8-4-3-5-9-15/h3-5,8-9,11,13,16H,2,6-7,10,12,14H2,1H3,(H,22,26)
InChIKeyUGHSEZNRCYZDPX-UHFFFAOYSA-N
MW380.52 g/mol
LogP4.04
Rot. Bonds5

About N-[[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methyl]benzamide

N-[[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methyl]benzamide (PubChem CID 133403725) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is N-[[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methyl]benzamide
PubChem CID133403725
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC NameN-[[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methyl]benzamide
SMILESCCc1nc(N2CCCCC2CNC(=O)c2ccccc2)c2ccsc2n1
InChIInChI=1S/C21H24N4OS/c1-2-18-23-19(17-11-13-27-21(17)24-18)25-12-7-6-10-16(25)14-22-20(26)15-8-4-3-5-9-15/h3-5,8-9,11,13,16H,2,6-7,10,12,14H2,1H3,(H,22,26)
InChIKeyUGHSEZNRCYZDPX-UHFFFAOYSA-N
XLogP4.04
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methyl]benzamide?
The IUPAC name of N-[[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methyl]benzamide (CID 133403725) is N-[[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methyl]benzamide?
The canonical SMILES for N-[[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methyl]benzamide is CCc1nc(N2CCCCC2CNC(=O)c2ccccc2)c2ccsc2n1.
What is the InChIKey of N-[[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methyl]benzamide?
The InChIKey is UGHSEZNRCYZDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-2-18-23-19(17-11-13-27-21(17)24-18)25-12-7-6-10-16(25)14-22-20(26)15-8-4-3-5-9-15/h3-5,8-9,11,13,16H,2,6-7,10,12,14H2,1H3,(H,22,26).
What are the key properties of N-[[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methyl]benzamide?
N-[[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methyl]benzamide has a molecular weight of 380.52 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methyl]benzamide is sourced from PubChem (CID 133403725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).