2-naphthalen-2-yl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]acetamide

C24H25NO3S — CID 86956969

IUPAC2-naphthalen-2-yl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]acetamide
SMILESO=C(Cc1ccc2ccccc2c1)Nc1cccc(CS(=O)C2CCOCC2)c1
InChIInChI=1S/C24H25NO3S/c26-24(16-18-8-9-20-5-1-2-6-21(20)14-18)25-22-7-3-4-19(15-22)17-29(27)23-10-12-28-13-11-23/h1-9,14-15,23H,10-13,16-17H2,(H,25,26)
InChIKeyOYYOGMWTEFIQBN-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.45
Rot. Bonds6

About 2-naphthalen-2-yl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]acetamide

2-naphthalen-2-yl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]acetamide (PubChem CID 86956969) has the molecular formula C24H25NO3S and a molecular weight of 407.54 g/mol. Its IUPAC name is 2-naphthalen-2-yl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-naphthalen-2-yl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]acetamide
PubChem CID86956969
Molecular FormulaC24H25NO3S
Molecular Weight407.54 g/mol
Exact Mass407.16
IUPAC Name2-naphthalen-2-yl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]acetamide
SMILESO=C(Cc1ccc2ccccc2c1)Nc1cccc(CS(=O)C2CCOCC2)c1
InChIInChI=1S/C24H25NO3S/c26-24(16-18-8-9-20-5-1-2-6-21(20)14-18)25-22-7-3-4-19(15-22)17-29(27)23-10-12-28-13-11-23/h1-9,14-15,23H,10-13,16-17H2,(H,25,26)
InChIKeyOYYOGMWTEFIQBN-UHFFFAOYSA-N
XLogP4.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethylphenyl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]-4-oxobutanamide
CID 86958714
3-[4-(difluoromethoxy)phenyl]-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]propanamide
CID 86956755
3-(5-chlorothiophen-2-yl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]propanamide
CID 86956783
N-(3-hydroxyphenyl)-2-naphthalen-2-ylacetamide
CID 28739776
5-(2-fluorophenyl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]furan-2-carboxamide
CID 86956906
1-benzyl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]triazole-4-carboxamide
CID 86956725
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]propanamide
CID 86956718
3-bromo-5-fluoro-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]benzamide
CID 86956894
N-[3,5-bis[(2-naphthalen-2-ylacetyl)amino]phenyl]-2-naphthalen-2-ylacetamide
CID 67257199
N-(3-acetylphenyl)-2-naphthalen-2-ylacetamide
CID 9165110
4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]benzamide
CID 146148796
4-amino-N-[3-(cyclohexylsulfinylmethyl)phenyl]butanamide
CID 119327228

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]acetamide?
The IUPAC name of 2-naphthalen-2-yl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]acetamide (CID 86956969) is 2-naphthalen-2-yl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-naphthalen-2-yl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]acetamide?
The canonical SMILES for 2-naphthalen-2-yl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]acetamide is O=C(Cc1ccc2ccccc2c1)Nc1cccc(CS(=O)C2CCOCC2)c1.
What is the InChIKey of 2-naphthalen-2-yl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]acetamide?
The InChIKey is OYYOGMWTEFIQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3S/c26-24(16-18-8-9-20-5-1-2-6-21(20)14-18)25-22-7-3-4-19(15-22)17-29(27)23-10-12-28-13-11-23/h1-9,14-15,23H,10-13,16-17H2,(H,25,26).
What are the key properties of 2-naphthalen-2-yl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]acetamide?
2-naphthalen-2-yl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]acetamide has a molecular weight of 407.54 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]acetamide is sourced from PubChem (CID 86956969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).