N-(4-ethoxyphenyl)-2-[4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide

C22H27N5O2S — CID 133404732

IUPACN-(4-ethoxyphenyl)-2-[4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)CN2CCN(c3nc(CC)nc4sccc34)CC2)cc1
InChIInChI=1S/C22H27N5O2S/c1-3-19-24-21(18-9-14-30-22(18)25-19)27-12-10-26(11-13-27)15-20(28)23-16-5-7-17(8-6-16)29-4-2/h5-9,14H,3-4,10-13,15H2,1-2H3,(H,23,28)
InChIKeyVPSNLWQMXAQDLY-UHFFFAOYSA-N
MW425.56 g/mol
LogP3.41
Rot. Bonds7

About N-(4-ethoxyphenyl)-2-[4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide

N-(4-ethoxyphenyl)-2-[4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide (PubChem CID 133404732) has the molecular formula C22H27N5O2S and a molecular weight of 425.56 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
PubChem CID133404732
Molecular FormulaC22H27N5O2S
Molecular Weight425.56 g/mol
Exact Mass425.19
IUPAC NameN-(4-ethoxyphenyl)-2-[4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)CN2CCN(c3nc(CC)nc4sccc34)CC2)cc1
InChIInChI=1S/C22H27N5O2S/c1-3-19-24-21(18-9-14-30-22(18)25-19)27-12-10-26(11-13-27)15-20(28)23-16-5-7-17(8-6-16)29-4-2/h5-9,14H,3-4,10-13,15H2,1-2H3,(H,23,28)
InChIKeyVPSNLWQMXAQDLY-UHFFFAOYSA-N
XLogP3.41
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 53.41
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
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
N-(4-ethoxyphenyl)-2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]acetamide
CID 133404758
2-[[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]methyl]prop-2-enoic acid
CID 166356607
N-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 988165
N-(4-ethoxyphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
CID 1438337
2-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 133272011
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 8591755
N-(4-ethoxyphenyl)-4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 42799978
N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 8544001
N-(4-ethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide
CID 9259318
N-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6465380

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide (CID 133404732) is N-(4-ethoxyphenyl)-2-[4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide is CCOc1ccc(NC(=O)CN2CCN(c3nc(CC)nc4sccc34)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide?
The InChIKey is VPSNLWQMXAQDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2S/c1-3-19-24-21(18-9-14-30-22(18)25-19)27-12-10-26(11-13-27)15-20(28)23-16-5-7-17(8-6-16)29-4-2/h5-9,14H,3-4,10-13,15H2,1-2H3,(H,23,28).
What are the key properties of N-(4-ethoxyphenyl)-2-[4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide?
N-(4-ethoxyphenyl)-2-[4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide has a molecular weight of 425.56 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 133404732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).