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

C19H19N3O2S — CID 135414726

IUPACN-naphthalen-2-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc3ccccc3c2)n1
InChIInChI=1S/C19H19N3O2S/c1-2-5-15-11-17(23)22-19(21-15)25-12-18(24)20-16-9-8-13-6-3-4-7-14(13)10-16/h3-4,6-11H,2,5,12H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyCBSSCFFKOLZNMB-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.61
Rot. Bonds6

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

N-naphthalen-2-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135414726) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-naphthalen-2-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135414726
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-naphthalen-2-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc3ccccc3c2)n1
InChIInChI=1S/C19H19N3O2S/c1-2-5-15-11-17(23)22-19(21-15)25-12-18(24)20-16-9-8-13-6-3-4-7-14(13)10-16/h3-4,6-11H,2,5,12H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyCBSSCFFKOLZNMB-UHFFFAOYSA-N
XLogP3.61
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-naphthalen-2-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135414726) is N-naphthalen-2-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-naphthalen-2-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-naphthalen-2-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc3ccccc3c2)n1.
What is the InChIKey of N-naphthalen-2-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is CBSSCFFKOLZNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-2-5-15-11-17(23)22-19(21-15)25-12-18(24)20-16-9-8-13-6-3-4-7-14(13)10-16/h3-4,6-11H,2,5,12H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of N-naphthalen-2-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-naphthalen-2-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 353.45 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135414726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).