3-methylsulfonyl-N-naphthalen-1-ylpropanamide

C14H15NO3S — CID 127504646

IUPAC3-methylsulfonyl-N-naphthalen-1-ylpropanamide
SMILESCS(=O)(=O)CCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C14H15NO3S/c1-19(17,18)10-9-14(16)15-13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9-10H2,1H3,(H,15,16)
InChIKeyKJSZYJDUKWQJMJ-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.21
Rot. Bonds4

About 3-methylsulfonyl-N-naphthalen-1-ylpropanamide

3-methylsulfonyl-N-naphthalen-1-ylpropanamide (PubChem CID 127504646) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-methylsulfonyl-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-naphthalen-1-ylpropanamide
PubChem CID127504646
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name3-methylsulfonyl-N-naphthalen-1-ylpropanamide
SMILESCS(=O)(=O)CCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C14H15NO3S/c1-19(17,18)10-9-14(16)15-13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9-10H2,1H3,(H,15,16)
InChIKeyKJSZYJDUKWQJMJ-UHFFFAOYSA-N
XLogP2.21
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
N-(2-chlorophenyl)-3-methylsulfonylpropanamide
CID 47160250
3-fluoro-N-naphthalen-1-ylpropanamide
CID 67224476
3-(4-fluorophenyl)sulfonyl-N-naphthalen-1-ylpropanamide
CID 7254373
N-naphthalen-1-yl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30259474
N-naphthalen-1-yldodecanamide
CID 588517
N-tert-butyl-2-(3-methylsulfonylpropanoylamino)benzamide
CID 56782844
2-(2-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide
CID 1372880
2-amino-N-naphthalen-1-ylacetamide;hydrochloride
CID 47003070
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
2-(diethylamino)-N-naphthalen-1-ylacetamide
CID 6421395

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-naphthalen-1-ylpropanamide?
The IUPAC name of 3-methylsulfonyl-N-naphthalen-1-ylpropanamide (CID 127504646) is 3-methylsulfonyl-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for 3-methylsulfonyl-N-naphthalen-1-ylpropanamide?
The canonical SMILES for 3-methylsulfonyl-N-naphthalen-1-ylpropanamide is CS(=O)(=O)CCC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 3-methylsulfonyl-N-naphthalen-1-ylpropanamide?
The InChIKey is KJSZYJDUKWQJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-19(17,18)10-9-14(16)15-13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9-10H2,1H3,(H,15,16).
What are the key properties of 3-methylsulfonyl-N-naphthalen-1-ylpropanamide?
3-methylsulfonyl-N-naphthalen-1-ylpropanamide has a molecular weight of 277.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 127504646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).