N-(2-ethoxyphenyl)-2-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanylacetamide

C24H27N5O2S — CID 50843694

IUPACN-(2-ethoxyphenyl)-2-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanylacetamide
SMILESCCOc1ccccc1NC(=O)CSc1nccc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C24H27N5O2S/c1-2-31-21-11-7-6-10-20(21)26-23(30)18-32-24-25-13-12-22(27-24)29-16-14-28(15-17-29)19-8-4-3-5-9-19/h3-13H,2,14-18H2,1H3,(H,26,30)
InChIKeyHNEZINUEWBJLEC-UHFFFAOYSA-N
MW449.58 g/mol
LogP3.93
Rot. Bonds8

About N-(2-ethoxyphenyl)-2-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanylacetamide

N-(2-ethoxyphenyl)-2-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanylacetamide (PubChem CID 50843694) has the molecular formula C24H27N5O2S and a molecular weight of 449.58 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanylacetamide
PubChem CID50843694
Molecular FormulaC24H27N5O2S
Molecular Weight449.58 g/mol
Exact Mass449.19
IUPAC NameN-(2-ethoxyphenyl)-2-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanylacetamide
SMILESCCOc1ccccc1NC(=O)CSc1nccc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C24H27N5O2S/c1-2-31-21-11-7-6-10-20(21)26-23(30)18-32-24-25-13-12-22(27-24)29-16-14-28(15-17-29)19-8-4-3-5-9-19/h3-13H,2,14-18H2,1H3,(H,26,30)
InChIKeyHNEZINUEWBJLEC-UHFFFAOYSA-N
XLogP3.93
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-ethoxyphenyl)-2-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanylacetamide 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

2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 17288753
N-(2,3-dimethylphenyl)-2-[4-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide
CID 53142106
N-(2,5-difluorophenyl)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide
CID 50843633
N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544
2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 50843502
N-(2-ethoxyphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 53136737
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 3151668
2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 50843517
2-(3-aminopyrazin-2-yl)sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 106678992
methyl 4-[[2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetyl]amino]benzoate
CID 50843738
ethyl 4-[2-(2-ethoxyanilino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112897936
1-(2-ethoxyphenyl)-3-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]urea
CID 91966791

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanylacetamide (CID 50843694) is N-(2-ethoxyphenyl)-2-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanylacetamide is CCOc1ccccc1NC(=O)CSc1nccc(N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is HNEZINUEWBJLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S/c1-2-31-21-11-7-6-10-20(21)26-23(30)18-32-24-25-13-12-22(27-24)29-16-14-28(15-17-29)19-8-4-3-5-9-19/h3-13H,2,14-18H2,1H3,(H,26,30).
What are the key properties of N-(2-ethoxyphenyl)-2-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanylacetamide?
N-(2-ethoxyphenyl)-2-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 449.58 g/mol, XLogP of 3.93, 8 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-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 50843694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).