N-(2-ethoxyphenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide

C21H25N5O2S — CID 78848777

IUPACN-(2-ethoxyphenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide
SMILESCCOc1ccccc1NC(=O)C(C)N1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C21H25N5O2S/c1-3-28-18-7-5-4-6-17(18)24-20(27)15(2)25-9-11-26(12-10-25)19-16-8-13-29-21(16)23-14-22-19/h4-8,13-15H,3,9-12H2,1-2H3,(H,24,27)
InChIKeyCXTPCCHXELSICD-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.24
Rot. Bonds6

About N-(2-ethoxyphenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide

N-(2-ethoxyphenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide (PubChem CID 78848777) has the molecular formula C21H25N5O2S and a molecular weight of 411.53 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide
PubChem CID78848777
Molecular FormulaC21H25N5O2S
Molecular Weight411.53 g/mol
Exact Mass411.17
IUPAC NameN-(2-ethoxyphenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide
SMILESCCOc1ccccc1NC(=O)C(C)N1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C21H25N5O2S/c1-3-28-18-7-5-4-6-17(18)24-20(27)15(2)25-9-11-26(12-10-25)19-16-8-13-29-21(16)23-14-22-19/h4-8,13-15H,3,9-12H2,1-2H3,(H,24,27)
InChIKeyCXTPCCHXELSICD-UHFFFAOYSA-N
XLogP3.24
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide
CID 78847119
N-(2-ethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 46631059
N-[(2-methylphenyl)methyl]-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide
CID 86923369
N-(3,4-difluorophenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide
CID 78847117
(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide
CID 99619873
N-(2-ethoxyphenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide
CID 16618393
N-(2-ethoxyphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 75810083
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide
CID 4824501
N,2-diphenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 78847132
(2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide
CID 9493947
(2S)-N-(2-ethoxyphenyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]propanamide
CID 42012963
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-ethoxyphenyl)propanamide
CID 9249079

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide (CID 78848777) is N-(2-ethoxyphenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide is CCOc1ccccc1NC(=O)C(C)N1CCN(c2ncnc3sccc23)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide?
The InChIKey is CXTPCCHXELSICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2S/c1-3-28-18-7-5-4-6-17(18)24-20(27)15(2)25-9-11-26(12-10-25)19-16-8-13-29-21(16)23-14-22-19/h4-8,13-15H,3,9-12H2,1-2H3,(H,24,27).
What are the key properties of N-(2-ethoxyphenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide?
N-(2-ethoxyphenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide has a molecular weight of 411.53 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 78848777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).