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

C16H13N3O2S — CID 860083

IUPACN-naphthalen-1-yl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nccc(=O)[nH]1)Nc1cccc2ccccc12
InChIInChI=1S/C16H13N3O2S/c20-14-8-9-17-16(19-14)22-10-15(21)18-13-7-3-5-11-4-1-2-6-12(11)13/h1-9H,10H2,(H,18,21)(H,17,19,20)
InChIKeyCXXXZEPZKFYELJ-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.65
Rot. Bonds4

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

N-naphthalen-1-yl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 860083) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is N-naphthalen-1-yl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID860083
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC NameN-naphthalen-1-yl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nccc(=O)[nH]1)Nc1cccc2ccccc12
InChIInChI=1S/C16H13N3O2S/c20-14-8-9-17-16(19-14)22-10-15(21)18-13-7-3-5-11-4-1-2-6-12(11)13/h1-9H,10H2,(H,18,21)(H,17,19,20)
InChIKeyCXXXZEPZKFYELJ-UHFFFAOYSA-N
XLogP2.65
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-naphthalen-1-yl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 860083) is N-naphthalen-1-yl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-naphthalen-1-yl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-naphthalen-1-yl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is O=C(CSc1nccc(=O)[nH]1)Nc1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-yl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is CXXXZEPZKFYELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c20-14-8-9-17-16(19-14)22-10-15(21)18-13-7-3-5-11-4-1-2-6-12(11)13/h1-9H,10H2,(H,18,21)(H,17,19,20).
What are the key properties of N-naphthalen-1-yl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-naphthalen-1-yl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 311.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 860083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).