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

C23H27N5OS — CID 78848729

IUPACN-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
SMILESCN(C(=O)CN1CCN(c2ncnc3sccc23)CC1)C1CCCc2ccccc21
InChIInChI=1S/C23H27N5OS/c1-26(20-8-4-6-17-5-2-3-7-18(17)20)21(29)15-27-10-12-28(13-11-27)22-19-9-14-30-23(19)25-16-24-22/h2-3,5,7,9,14,16,20H,4,6,8,10-13,15H2,1H3
InChIKeyUAJQQPBJMAVQKT-UHFFFAOYSA-N
MW421.57 g/mol
LogP3.35
Rot. Bonds4

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

N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide (PubChem CID 78848729) has the molecular formula C23H27N5OS and a molecular weight of 421.57 g/mol. Its IUPAC name is N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
PubChem CID78848729
Molecular FormulaC23H27N5OS
Molecular Weight421.57 g/mol
Exact Mass421.19
IUPAC NameN-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
SMILESCN(C(=O)CN1CCN(c2ncnc3sccc23)CC1)C1CCCc2ccccc21
InChIInChI=1S/C23H27N5OS/c1-26(20-8-4-6-17-5-2-3-7-18(17)20)21(29)15-27-10-12-28(13-11-27)22-19-9-14-30-23(19)25-16-24-22/h2-3,5,7,9,14,16,20H,4,6,8,10-13,15H2,1H3
InChIKeyUAJQQPBJMAVQKT-UHFFFAOYSA-N
XLogP3.35
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopropylmethyl)-N-methyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 87015920
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9346528
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 46527824
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9347111
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 60511940
2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 95289244
2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 111113798
N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 78898384
N-methyl-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 95287916
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 39976733
4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)thieno[2,3-d]pyrimidine
CID 157019262
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 46809760

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide (CID 78848729) is N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide is CN(C(=O)CN1CCN(c2ncnc3sccc23)CC1)C1CCCc2ccccc21.
What is the InChIKey of N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide?
The InChIKey is UAJQQPBJMAVQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5OS/c1-26(20-8-4-6-17-5-2-3-7-18(17)20)21(29)15-27-10-12-28(13-11-27)22-19-9-14-30-23(19)25-16-24-22/h2-3,5,7,9,14,16,20H,4,6,8,10-13,15H2,1H3.
What are the key properties of N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide?
N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide has a molecular weight of 421.57 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 78848729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).