2-[6-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-4-yl]-N-(2-phenylethyl)acetamide

C26H29N5O3S — CID 136617301

IUPAC2-[6-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-4-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(Cc1cc(=O)[nH]c(SCC(=O)N2CCN(c3ccccc3)CC2)n1)NCCc1ccccc1
InChIInChI=1S/C26H29N5O3S/c32-23(27-12-11-20-7-3-1-4-8-20)17-21-18-24(33)29-26(28-21)35-19-25(34)31-15-13-30(14-16-31)22-9-5-2-6-10-22/h1-10,18H,11-17,19H2,(H,27,32)(H,28,29,33)
InChIKeyQYAFWTNXKKMXEE-UHFFFAOYSA-N
MW491.62 g/mol
LogP2.11
Rot. Bonds9

About 2-[6-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-4-yl]-N-(2-phenylethyl)acetamide

2-[6-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-4-yl]-N-(2-phenylethyl)acetamide (PubChem CID 136617301) has the molecular formula C26H29N5O3S and a molecular weight of 491.62 g/mol. Its IUPAC name is 2-[6-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-4-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[6-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-4-yl]-N-(2-phenylethyl)acetamide
PubChem CID136617301
Molecular FormulaC26H29N5O3S
Molecular Weight491.62 g/mol
Exact Mass491.20
IUPAC Name2-[6-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-4-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(Cc1cc(=O)[nH]c(SCC(=O)N2CCN(c3ccccc3)CC2)n1)NCCc1ccccc1
InChIInChI=1S/C26H29N5O3S/c32-23(27-12-11-20-7-3-1-4-8-20)17-21-18-24(33)29-26(28-21)35-19-25(34)31-15-13-30(14-16-31)22-9-5-2-6-10-22/h1-10,18H,11-17,19H2,(H,27,32)(H,28,29,33)
InChIKeyQYAFWTNXKKMXEE-UHFFFAOYSA-N
XLogP2.11
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.62
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[6-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-4-yl]-N-(2-phenylethyl)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

2-benzylsulfanyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-pyrimidin-6-one
CID 136615618
methyl 2-[6-oxo-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-1H-pyrimidin-4-yl]acetate
CID 135734653
2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 135561548
2-[2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]-N-(2-phenylethyl)acetamide
CID 136617308
2-[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]-N-methylacetamide
CID 136616962
3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxo-N-(2-phenylethyl)propanamide
CID 108947922
4-[(4-phenylpiperazin-1-yl)methyl]-2-[4-(2-phenylsulfanylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135933156
N-[4-amino-6-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-5-yl]-4-fluorobenzamide
CID 135705725
ethyl 2-[[2-[[4-[2-(benzylamino)-2-oxoethyl]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]acetate
CID 136617162
N-benzyl-2-[6-oxo-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-pyrimidin-4-yl]acetamide
CID 136616823
2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 136615742
2-[(3-methoxyphenyl)methylsulfanyl]-4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136615941

Frequently Asked Questions

What is the IUPAC name of 2-[6-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-4-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[6-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-4-yl]-N-(2-phenylethyl)acetamide (CID 136617301) is 2-[6-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-4-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[6-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-4-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[6-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-4-yl]-N-(2-phenylethyl)acetamide is O=C(Cc1cc(=O)[nH]c(SCC(=O)N2CCN(c3ccccc3)CC2)n1)NCCc1ccccc1.
What is the InChIKey of 2-[6-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-4-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is QYAFWTNXKKMXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3S/c32-23(27-12-11-20-7-3-1-4-8-20)17-21-18-24(33)29-26(28-21)35-19-25(34)31-15-13-30(14-16-31)22-9-5-2-6-10-22/h1-10,18H,11-17,19H2,(H,27,32)(H,28,29,33).
What are the key properties of 2-[6-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-4-yl]-N-(2-phenylethyl)acetamide?
2-[6-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-4-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 491.62 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-4-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 136617301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).