2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide

C25H26N4O2S2 — CID 71600974

IUPAC2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C25H26N4O2S2/c30-22(26-18-9-11-19(12-10-18)28-14-5-2-6-15-28)17-33-25-27-21-13-16-32-23(21)24(31)29(25)20-7-3-1-4-8-20/h1,3-4,7-12H,2,5-6,13-17H2,(H,26,30)
InChIKeyZDFCOHLXQAHANY-UHFFFAOYSA-N
MW478.64 g/mol
LogP4.60
Rot. Bonds6

About 2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide

2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 71600974) has the molecular formula C25H26N4O2S2 and a molecular weight of 478.64 g/mol. Its IUPAC name is 2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID71600974
Molecular FormulaC25H26N4O2S2
Molecular Weight478.64 g/mol
Exact Mass478.15
IUPAC Name2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C25H26N4O2S2/c30-22(26-18-9-11-19(12-10-18)28-14-5-2-6-15-28)17-33-25-27-21-13-16-32-23(21)24(31)29(25)20-7-3-1-4-8-20/h1,3-4,7-12H,2,5-6,13-17H2,(H,26,30)
InChIKeyZDFCOHLXQAHANY-UHFFFAOYSA-N
XLogP4.60
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-Butylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 2155145
2-Butan-2-ylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 3403301
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 135464466
2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N,N-diphenylacetamide
CID 1296709
2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 3236056
2-((3,6-dimethyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(4-fluorophenyl)acetamide
CID 3239552
N-(2,4-difluorophenyl)-2-((3,6-dimethyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
CID 3242574
3,6-dimethyl-2-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 4151798
7-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 8083550
2-((2-((4-acetamidophenyl)amino)-2-oxoethyl)thio)-1-methyl-6-oxo-N-phenyl-1,6-dihydropyrimidine-5-carboxamide
CID 18572132
2-[({5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-N-phenylacetamide
CID 20961886
N-(4-Fluorophenyl)-2-[({5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl)sulfanyl]acetamide
CID 20961888

Frequently Asked Questions

What is the IUPAC name of 2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide (CID 71600974) is 2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide is O=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is ZDFCOHLXQAHANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2S2/c30-22(26-18-9-11-19(12-10-18)28-14-5-2-6-15-28)17-33-25-27-21-13-16-32-23(21)24(31)29(25)20-7-3-1-4-8-20/h1,3-4,7-12H,2,5-6,13-17H2,(H,26,30).
What are the key properties of 2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide?
2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 478.64 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 71600974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).