N-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide

C22H27N5O2S — CID 78898388

IUPACN-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
SMILESCCOCc1ccc(CNC(=O)CN2CCN(c3ncnc4sccc34)CC2)cc1
InChIInChI=1S/C22H27N5O2S/c1-2-29-15-18-5-3-17(4-6-18)13-23-20(28)14-26-8-10-27(11-9-26)21-19-7-12-30-22(19)25-16-24-21/h3-7,12,16H,2,8-11,13-15H2,1H3,(H,23,28)
InChIKeyVIASMGKQXRMKEC-UHFFFAOYSA-N
MW425.56 g/mol
LogP2.67
Rot. Bonds8

About N-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide

N-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide (PubChem CID 78898388) has the molecular formula C22H27N5O2S and a molecular weight of 425.56 g/mol. Its IUPAC name is N-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
PubChem CID78898388
Molecular FormulaC22H27N5O2S
Molecular Weight425.56 g/mol
Exact Mass425.19
IUPAC NameN-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
SMILESCCOCc1ccc(CNC(=O)CN2CCN(c3ncnc4sccc34)CC2)cc1
InChIInChI=1S/C22H27N5O2S/c1-2-29-15-18-5-3-17(4-6-18)13-23-20(28)14-26-8-10-27(11-9-26)21-19-7-12-30-22(19)25-16-24-21/h3-7,12,16H,2,8-11,13-15H2,1H3,(H,23,28)
InChIKeyVIASMGKQXRMKEC-UHFFFAOYSA-N
XLogP2.67
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethoxyphenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 78846993
N-[[4-(ethoxymethyl)phenyl]methyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 87013977
N-[(4-methylphenyl)methyl]-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide
CID 133356434
N-(2-tert-butylphenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 78848760
N-(1-naphthalen-1-ylethyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 78848753
N-(cyclopropylmethyl)-N-methyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 87015920
N-(methylcarbamoyl)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide
CID 86931052
4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 26448675
bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 174973437
1-(2-methylpiperidin-1-yl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 46571384
[4-[(4-tert-butylphenoxy)methyl]phenyl]-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 112814578
N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 78898384

Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide (CID 78898388) is N-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide is CCOCc1ccc(CNC(=O)CN2CCN(c3ncnc4sccc34)CC2)cc1.
What is the InChIKey of N-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide?
The InChIKey is VIASMGKQXRMKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2S/c1-2-29-15-18-5-3-17(4-6-18)13-23-20(28)14-26-8-10-27(11-9-26)21-19-7-12-30-22(19)25-16-24-21/h3-7,12,16H,2,8-11,13-15H2,1H3,(H,23,28).
What are the key properties of N-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide?
N-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide has a molecular weight of 425.56 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 78898388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).