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

C19H23N3O3S — CID 135824704

IUPACN-[2-[4-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)c2ccc(CCNC(C)=O)cc2)n1
InChIInChI=1S/C19H23N3O3S/c1-3-4-16-11-18(25)22-19(21-16)26-12-17(24)15-7-5-14(6-8-15)9-10-20-13(2)23/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,20,23)(H,21,22,25)
InChIKeyXXSJJBGIOCMXAO-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.38
Rot. Bonds9

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

N-[2-[4-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide (PubChem CID 135824704) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[2-[4-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide
PubChem CID135824704
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[2-[4-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)c2ccc(CCNC(C)=O)cc2)n1
InChIInChI=1S/C19H23N3O3S/c1-3-4-16-11-18(25)22-19(21-16)26-12-17(24)15-7-5-14(6-8-15)9-10-20-13(2)23/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,20,23)(H,21,22,25)
InChIKeyXXSJJBGIOCMXAO-UHFFFAOYSA-N
XLogP2.38
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]propyl]acetamide
CID 135690918
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
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135600159
2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135488234
2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 135561548
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
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[4-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide (CID 135824704) is N-[2-[4-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide is CCCc1cc(=O)[nH]c(SCC(=O)c2ccc(CCNC(C)=O)cc2)n1.
What is the InChIKey of N-[2-[4-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide?
The InChIKey is XXSJJBGIOCMXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-3-4-16-11-18(25)22-19(21-16)26-12-17(24)15-7-5-14(6-8-15)9-10-20-13(2)23/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,20,23)(H,21,22,25).
What are the key properties of N-[2-[4-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide?
N-[2-[4-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide has a molecular weight of 373.48 g/mol, XLogP of 2.38, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 135824704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).