2-(6-methoxynaphthalen-2-yl)-N-methylsulfonylbutanamide

C16H19NO4S — CID 129056877

IUPAC2-(6-methoxynaphthalen-2-yl)-N-methylsulfonylbutanamide
SMILESCCC(C(=O)NS(C)(=O)=O)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C16H19NO4S/c1-4-15(16(18)17-22(3,19)20)13-6-5-12-10-14(21-2)8-7-11(12)9-13/h5-10,15H,4H2,1-3H3,(H,17,18)
InChIKeySALVNLDAWIOZGL-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.42
Rot. Bonds5

About 2-(6-methoxynaphthalen-2-yl)-N-methylsulfonylbutanamide

2-(6-methoxynaphthalen-2-yl)-N-methylsulfonylbutanamide (PubChem CID 129056877) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-(6-methoxynaphthalen-2-yl)-N-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-(6-methoxynaphthalen-2-yl)-N-methylsulfonylbutanamide
PubChem CID129056877
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC Name2-(6-methoxynaphthalen-2-yl)-N-methylsulfonylbutanamide
SMILESCCC(C(=O)NS(C)(=O)=O)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C16H19NO4S/c1-4-15(16(18)17-22(3,19)20)13-6-5-12-10-14(21-2)8-7-11(12)9-13/h5-10,15H,4H2,1-3H3,(H,17,18)
InChIKeySALVNLDAWIOZGL-UHFFFAOYSA-N
XLogP2.42
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methoxynaphthalen-2-yl)-3-methylsulfonylpropan-1-ol
CID 65148590
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[(1S)-1-(4-methoxyphenyl)propyl]propanamide
CID 39951625
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide
CID 39951624
[2-(6-methoxynaphthalen-2-yl)propanoylamino]methyl methanesulfonate
CID 18682703
2-chloro-2-(6-methoxynaphthalen-2-yl)-N-propylacetamide
CID 62226439
1-(6-methoxynaphthalen-2-yl)-4-methylsulfonylbutan-1-ol
CID 65148541
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 10016853
propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102378352
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[(2S)-pentan-2-yl]propanamide
CID 95247403
hydroxy-(6-methoxynaphthalen-2-yl)methanesulfonic acid
CID 4161166
methyl 2-amino-2-(6-methoxynaphthalen-2-yl)acetate
CID 54022420

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxynaphthalen-2-yl)-N-methylsulfonylbutanamide?
The IUPAC name of 2-(6-methoxynaphthalen-2-yl)-N-methylsulfonylbutanamide (CID 129056877) is 2-(6-methoxynaphthalen-2-yl)-N-methylsulfonylbutanamide.
What is the SMILES notation for 2-(6-methoxynaphthalen-2-yl)-N-methylsulfonylbutanamide?
The canonical SMILES for 2-(6-methoxynaphthalen-2-yl)-N-methylsulfonylbutanamide is CCC(C(=O)NS(C)(=O)=O)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of 2-(6-methoxynaphthalen-2-yl)-N-methylsulfonylbutanamide?
The InChIKey is SALVNLDAWIOZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-4-15(16(18)17-22(3,19)20)13-6-5-12-10-14(21-2)8-7-11(12)9-13/h5-10,15H,4H2,1-3H3,(H,17,18).
What are the key properties of 2-(6-methoxynaphthalen-2-yl)-N-methylsulfonylbutanamide?
2-(6-methoxynaphthalen-2-yl)-N-methylsulfonylbutanamide has a molecular weight of 321.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxynaphthalen-2-yl)-N-methylsulfonylbutanamide is sourced from PubChem (CID 129056877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).