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

C22H26N4OS — CID 46362775

IUPACN-(4-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCc1ccc(NC(=O)C2CCN(c3ncnc4sc(CC)cc34)CC2)cc1
InChIInChI=1S/C22H26N4OS/c1-3-15-5-7-17(8-6-15)25-21(27)16-9-11-26(12-10-16)20-19-13-18(4-2)28-22(19)24-14-23-20/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,25,27)
InChIKeySKPYQULOESJSHE-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.67
Rot. Bonds5

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

N-(4-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 46362775) has the molecular formula C22H26N4OS and a molecular weight of 394.54 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID46362775
Molecular FormulaC22H26N4OS
Molecular Weight394.54 g/mol
Exact Mass394.18
IUPAC NameN-(4-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCc1ccc(NC(=O)C2CCN(c3ncnc4sc(CC)cc34)CC2)cc1
InChIInChI=1S/C22H26N4OS/c1-3-15-5-7-17(8-6-15)25-21(27)16-9-11-26(12-10-16)20-19-13-18(4-2)28-22(19)24-14-23-20/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,25,27)
InChIKeySKPYQULOESJSHE-UHFFFAOYSA-N
XLogP4.67
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46362863
N-(2,5-difluorophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46362799
N-cyclopentyl-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46362791
(3R)-N-(4-chlorophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877233
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 46362782
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 46362806
(3R)-N-(3-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877193
4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 63388915
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 60507618
N-(4-ethylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223112
N-(4-ethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide
CID 46395494
(3R)-N-(3-chloro-4-methoxyphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877083

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 46362775) is N-(4-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is CCc1ccc(NC(=O)C2CCN(c3ncnc4sc(CC)cc34)CC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is SKPYQULOESJSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OS/c1-3-15-5-7-17(8-6-15)25-21(27)16-9-11-26(12-10-16)20-19-13-18(4-2)28-22(19)24-14-23-20/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,25,27).
What are the key properties of N-(4-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
N-(4-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 394.54 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46362775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).