2-naphthalen-2-ylsulfanyl-1-phenylpropan-1-one

C19H16OS — CID 43411864

IUPAC2-naphthalen-2-ylsulfanyl-1-phenylpropan-1-one
SMILESCC(Sc1ccc2ccccc2c1)C(=O)c1ccccc1
InChIInChI=1S/C19H16OS/c1-14(19(20)16-8-3-2-4-9-16)21-18-12-11-15-7-5-6-10-17(15)13-18/h2-14H,1H3
InChIKeyVRNGORQLQWUKFK-UHFFFAOYSA-N
MW292.40 g/mol
LogP5.20
Rot. Bonds4

About 2-naphthalen-2-ylsulfanyl-1-phenylpropan-1-one

2-naphthalen-2-ylsulfanyl-1-phenylpropan-1-one (PubChem CID 43411864) has the molecular formula C19H16OS and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-naphthalen-2-ylsulfanyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-naphthalen-2-ylsulfanyl-1-phenylpropan-1-one
PubChem CID43411864
Molecular FormulaC19H16OS
Molecular Weight292.40 g/mol
Exact Mass292.09
IUPAC Name2-naphthalen-2-ylsulfanyl-1-phenylpropan-1-one
SMILESCC(Sc1ccc2ccccc2c1)C(=O)c1ccccc1
InChIInChI=1S/C19H16OS/c1-14(19(20)16-8-3-2-4-9-16)21-18-12-11-15-7-5-6-10-17(15)13-18/h2-14H,1H3
InChIKeyVRNGORQLQWUKFK-UHFFFAOYSA-N
XLogP5.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.40
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(1-oxo-1-phenylpropan-2-yl)sulfanylphenyl]acetamide
CID 43413830
(2S)-N-carbamoyl-2-naphthalen-2-ylsulfanylpropanamide
CID 2500778
(2R)-N-benzyl-2-naphthalen-2-ylsulfanylpropanamide
CID 7793117
2-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
CID 43413679
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-naphthalen-2-ylsulfanylpropanamide
CID 7402963
3-hydroxy-2-methyl-3-naphthalen-2-yl-1-phenylpropan-1-one
CID 12012921
2-(3,4-difluorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
CID 43224954
1-(3-chlorophenyl)-2-(4-methoxyphenyl)sulfanylpropan-1-one
CID 43232367
2-(6-methylnaphthalen-2-yl)sulfanylpropanoic acid
CID 116852471
(2R)-N-(2-chlorophenyl)-2-naphthalen-2-ylsulfanylpropanamide
CID 8957293
(2R)-N-cyclohexyl-2-naphthalen-2-ylsulfanylpropanamide
CID 7402929
(2S)-N-(2-methoxyethyl)-2-naphthalen-2-ylsulfanylpropanamide
CID 8957294

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-ylsulfanyl-1-phenylpropan-1-one?
The IUPAC name of 2-naphthalen-2-ylsulfanyl-1-phenylpropan-1-one (CID 43411864) is 2-naphthalen-2-ylsulfanyl-1-phenylpropan-1-one.
What is the SMILES notation for 2-naphthalen-2-ylsulfanyl-1-phenylpropan-1-one?
The canonical SMILES for 2-naphthalen-2-ylsulfanyl-1-phenylpropan-1-one is CC(Sc1ccc2ccccc2c1)C(=O)c1ccccc1.
What is the InChIKey of 2-naphthalen-2-ylsulfanyl-1-phenylpropan-1-one?
The InChIKey is VRNGORQLQWUKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16OS/c1-14(19(20)16-8-3-2-4-9-16)21-18-12-11-15-7-5-6-10-17(15)13-18/h2-14H,1H3.
What are the key properties of 2-naphthalen-2-ylsulfanyl-1-phenylpropan-1-one?
2-naphthalen-2-ylsulfanyl-1-phenylpropan-1-one has a molecular weight of 292.40 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-ylsulfanyl-1-phenylpropan-1-one is sourced from PubChem (CID 43411864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).