2-[methyl(naphthalen-2-ylsulfonyl)amino]ethyl acetate

C15H17NO4S — CID 54115445

IUPAC2-[methyl(naphthalen-2-ylsulfonyl)amino]ethyl acetate
SMILESCC(=O)OCCN(C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H17NO4S/c1-12(17)20-10-9-16(2)21(18,19)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11H,9-10H2,1-2H3
InChIKeyNKADCTWLSIKPCE-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.02
Rot. Bonds5

About 2-[methyl(naphthalen-2-ylsulfonyl)amino]ethyl acetate

2-[methyl(naphthalen-2-ylsulfonyl)amino]ethyl acetate (PubChem CID 54115445) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-[methyl(naphthalen-2-ylsulfonyl)amino]ethyl acetate.

Molecular Properties

Compound Name2-[methyl(naphthalen-2-ylsulfonyl)amino]ethyl acetate
PubChem CID54115445
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Name2-[methyl(naphthalen-2-ylsulfonyl)amino]ethyl acetate
SMILESCC(=O)OCCN(C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H17NO4S/c1-12(17)20-10-9-16(2)21(18,19)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11H,9-10H2,1-2H3
InChIKeyNKADCTWLSIKPCE-UHFFFAOYSA-N
XLogP2.02
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(naphthalen-2-ylsulfonyl)amino]ethyl acetate?
The IUPAC name of 2-[methyl(naphthalen-2-ylsulfonyl)amino]ethyl acetate (CID 54115445) is 2-[methyl(naphthalen-2-ylsulfonyl)amino]ethyl acetate.
What is the SMILES notation for 2-[methyl(naphthalen-2-ylsulfonyl)amino]ethyl acetate?
The canonical SMILES for 2-[methyl(naphthalen-2-ylsulfonyl)amino]ethyl acetate is CC(=O)OCCN(C)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-[methyl(naphthalen-2-ylsulfonyl)amino]ethyl acetate?
The InChIKey is NKADCTWLSIKPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-12(17)20-10-9-16(2)21(18,19)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 2-[methyl(naphthalen-2-ylsulfonyl)amino]ethyl acetate?
2-[methyl(naphthalen-2-ylsulfonyl)amino]ethyl acetate has a molecular weight of 307.37 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(naphthalen-2-ylsulfonyl)amino]ethyl acetate is sourced from PubChem (CID 54115445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).