2-naphthalen-2-ylsulfanyl-N-pyrimidin-2-ylacetamide

C16H13N3OS — CID 2358893

IUPAC2-naphthalen-2-ylsulfanyl-N-pyrimidin-2-ylacetamide
SMILESO=C(CSc1ccc2ccccc2c1)Nc1ncccn1
InChIInChI=1S/C16H13N3OS/c20-15(19-16-17-8-3-9-18-16)11-21-14-7-6-12-4-1-2-5-13(12)10-14/h1-10H,11H2,(H,17,18,19,20)
InChIKeyQDPPFJZBADEYAX-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.36
Rot. Bonds4

About 2-naphthalen-2-ylsulfanyl-N-pyrimidin-2-ylacetamide

2-naphthalen-2-ylsulfanyl-N-pyrimidin-2-ylacetamide (PubChem CID 2358893) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-naphthalen-2-ylsulfanyl-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-naphthalen-2-ylsulfanyl-N-pyrimidin-2-ylacetamide
PubChem CID2358893
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name2-naphthalen-2-ylsulfanyl-N-pyrimidin-2-ylacetamide
SMILESO=C(CSc1ccc2ccccc2c1)Nc1ncccn1
InChIInChI=1S/C16H13N3OS/c20-15(19-16-17-8-3-9-18-16)11-21-14-7-6-12-4-1-2-5-13(12)10-14/h1-10H,11H2,(H,17,18,19,20)
InChIKeyQDPPFJZBADEYAX-UHFFFAOYSA-N
XLogP3.36
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-2-ylsulfanyl-N-pyridin-2-ylacetamide
CID 39922635
N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 4560101
N-[3-(carbamoylamino)phenyl]-2-naphthalen-2-ylsulfanylacetamide
CID 55539737
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-naphthalen-2-ylsulfanylacetamide
CID 7534956
3-[(2-naphthalen-2-ylsulfanylacetyl)amino]benzoic acid
CID 45425864
2-(3,4-difluorophenyl)sulfanyl-N-naphthalen-2-ylacetamide
CID 7736930
N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-naphthalen-2-ylsulfanylacetamide
CID 7793089
N-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 2500878
2-naphthalen-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 2225782
2-phenylsulfanyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 87018830
4-[4-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylanilino]-4-oxobutanoic acid
CID 22786345
N'-(2-naphthalen-2-ylsulfanylacetyl)quinoline-2-carbohydrazide
CID 35064538

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-ylsulfanyl-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-naphthalen-2-ylsulfanyl-N-pyrimidin-2-ylacetamide (CID 2358893) is 2-naphthalen-2-ylsulfanyl-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-naphthalen-2-ylsulfanyl-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-naphthalen-2-ylsulfanyl-N-pyrimidin-2-ylacetamide is O=C(CSc1ccc2ccccc2c1)Nc1ncccn1.
What is the InChIKey of 2-naphthalen-2-ylsulfanyl-N-pyrimidin-2-ylacetamide?
The InChIKey is QDPPFJZBADEYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c20-15(19-16-17-8-3-9-18-16)11-21-14-7-6-12-4-1-2-5-13(12)10-14/h1-10H,11H2,(H,17,18,19,20).
What are the key properties of 2-naphthalen-2-ylsulfanyl-N-pyrimidin-2-ylacetamide?
2-naphthalen-2-ylsulfanyl-N-pyrimidin-2-ylacetamide has a molecular weight of 295.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-ylsulfanyl-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 2358893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).