N-[3-[4-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]propyl]acetamide

C20H25N3O3S — CID 135690918

IUPACN-[3-[4-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]propyl]acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)c2ccc(CCCNC(C)=O)cc2)n1
InChIInChI=1S/C20H25N3O3S/c1-3-5-17-12-19(26)23-20(22-17)27-13-18(25)16-9-7-15(8-10-16)6-4-11-21-14(2)24/h7-10,12H,3-6,11,13H2,1-2H3,(H,21,24)(H,22,23,26)
InChIKeyMMAYIEYIDUZIEO-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.77
Rot. Bonds10

About N-[3-[4-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]propyl]acetamide

N-[3-[4-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]propyl]acetamide (PubChem CID 135690918) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[3-[4-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]propyl]acetamide
PubChem CID135690918
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[3-[4-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]propyl]acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)c2ccc(CCCNC(C)=O)cc2)n1
InChIInChI=1S/C20H25N3O3S/c1-3-5-17-12-19(26)23-20(22-17)27-13-18(25)16-9-7-15(8-10-16)6-4-11-21-14(2)24/h7-10,12H,3-6,11,13H2,1-2H3,(H,21,24)(H,22,23,26)
InChIKeyMMAYIEYIDUZIEO-UHFFFAOYSA-N
XLogP2.77
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide
CID 135824704
2-[2-(4-iodophenyl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135949746
2-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135794448
2-[2-(2-bromophenyl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135910525
2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135410616
2-[2-oxo-2-(4-propylphenyl)ethyl]sulfanyl-1H-pyrimidin-6-one
CID 43218640
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135600159
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-[6-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-2-pyridinyl]acetamide
CID 135795858
N-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]benzamide
CID 135413606
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 135423612
2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135512436
methyl 4-methyl-3-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate
CID 135720178

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]propyl]acetamide?
The IUPAC name of N-[3-[4-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]propyl]acetamide (CID 135690918) is N-[3-[4-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]propyl]acetamide.
What is the SMILES notation for N-[3-[4-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]propyl]acetamide?
The canonical SMILES for N-[3-[4-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]propyl]acetamide is CCCc1cc(=O)[nH]c(SCC(=O)c2ccc(CCCNC(C)=O)cc2)n1.
What is the InChIKey of N-[3-[4-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]propyl]acetamide?
The InChIKey is MMAYIEYIDUZIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-3-5-17-12-19(26)23-20(22-17)27-13-18(25)16-9-7-15(8-10-16)6-4-11-21-14(2)24/h7-10,12H,3-6,11,13H2,1-2H3,(H,21,24)(H,22,23,26).
What are the key properties of N-[3-[4-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]propyl]acetamide?
N-[3-[4-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]propyl]acetamide has a molecular weight of 387.51 g/mol, XLogP of 2.77, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]propyl]acetamide is sourced from PubChem (CID 135690918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).