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

C18H17N3O3S — CID 6501406

IUPAC2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
SMILESCOc1cc(=O)[nH]c(SC(C)C(=O)Nc2cccc3ccccc23)n1
InChIInChI=1S/C18H17N3O3S/c1-11(25-18-20-15(22)10-16(21-18)24-2)17(23)19-14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyCUDGTIVHRSWNKI-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.05
Rot. Bonds5

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

2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylpropanamide (PubChem CID 6501406) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
PubChem CID6501406
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
SMILESCOc1cc(=O)[nH]c(SC(C)C(=O)Nc2cccc3ccccc23)n1
InChIInChI=1S/C18H17N3O3S/c1-11(25-18-20-15(22)10-16(21-18)24-2)17(23)19-14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyCUDGTIVHRSWNKI-UHFFFAOYSA-N
XLogP3.05
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylpropanamide?
The IUPAC name of 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylpropanamide (CID 6501406) is 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylpropanamide?
The canonical SMILES for 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylpropanamide is COc1cc(=O)[nH]c(SC(C)C(=O)Nc2cccc3ccccc23)n1.
What is the InChIKey of 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylpropanamide?
The InChIKey is CUDGTIVHRSWNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-11(25-18-20-15(22)10-16(21-18)24-2)17(23)19-14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,1-2H3,(H,19,23)(H,20,21,22).
What are the key properties of 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylpropanamide?
2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylpropanamide has a molecular weight of 355.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 6501406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).