N-(2,5-difluorophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

C20H20F2N4OS — CID 46362799

IUPACN-(2,5-difluorophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCc1cc2c(N3CCC(C(=O)Nc4cc(F)ccc4F)CC3)ncnc2s1
InChIInChI=1S/C20H20F2N4OS/c1-2-14-10-15-18(23-11-24-20(15)28-14)26-7-5-12(6-8-26)19(27)25-17-9-13(21)3-4-16(17)22/h3-4,9-12H,2,5-8H2,1H3,(H,25,27)
InChIKeyGHVBMONDKXMSEQ-UHFFFAOYSA-N
MW402.47 g/mol
LogP4.39
Rot. Bonds4

About N-(2,5-difluorophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

N-(2,5-difluorophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 46362799) has the molecular formula C20H20F2N4OS and a molecular weight of 402.47 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID46362799
Molecular FormulaC20H20F2N4OS
Molecular Weight402.47 g/mol
Exact Mass402.13
IUPAC NameN-(2,5-difluorophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCc1cc2c(N3CCC(C(=O)Nc4cc(F)ccc4F)CC3)ncnc2s1
InChIInChI=1S/C20H20F2N4OS/c1-2-14-10-15-18(23-11-24-20(15)28-14)26-7-5-12(6-8-26)19(27)25-17-9-13(21)3-4-16(17)22/h3-4,9-12H,2,5-8H2,1H3,(H,25,27)
InChIKeyGHVBMONDKXMSEQ-UHFFFAOYSA-N
XLogP4.39
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 46362799) is N-(2,5-difluorophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is CCc1cc2c(N3CCC(C(=O)Nc4cc(F)ccc4F)CC3)ncnc2s1.
What is the InChIKey of N-(2,5-difluorophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is GHVBMONDKXMSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4OS/c1-2-14-10-15-18(23-11-24-20(15)28-14)26-7-5-12(6-8-26)19(27)25-17-9-13(21)3-4-16(17)22/h3-4,9-12H,2,5-8H2,1H3,(H,25,27).
What are the key properties of N-(2,5-difluorophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
N-(2,5-difluorophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 402.47 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46362799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).