N-[2-[7-(methylsulfamoyl)naphthalen-1-yl]ethyl]acetamide

C15H18N2O3S — CID 18175028

IUPACN-[2-[7-(methylsulfamoyl)naphthalen-1-yl]ethyl]acetamide
SMILESCNS(=O)(=O)c1ccc2cccc(CCNC(C)=O)c2c1
InChIInChI=1S/C15H18N2O3S/c1-11(18)17-9-8-13-5-3-4-12-6-7-14(10-15(12)13)21(19,20)16-2/h3-7,10,16H,8-9H2,1-2H3,(H,17,18)
InChIKeyLMMCCCKILDSFAH-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.43
Rot. Bonds5

About N-[2-[7-(methylsulfamoyl)naphthalen-1-yl]ethyl]acetamide

N-[2-[7-(methylsulfamoyl)naphthalen-1-yl]ethyl]acetamide (PubChem CID 18175028) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[2-[7-(methylsulfamoyl)naphthalen-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[7-(methylsulfamoyl)naphthalen-1-yl]ethyl]acetamide
PubChem CID18175028
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-[2-[7-(methylsulfamoyl)naphthalen-1-yl]ethyl]acetamide
SMILESCNS(=O)(=O)c1ccc2cccc(CCNC(C)=O)c2c1
InChIInChI=1S/C15H18N2O3S/c1-11(18)17-9-8-13-5-3-4-12-6-7-14(10-15(12)13)21(19,20)16-2/h3-7,10,16H,8-9H2,1-2H3,(H,17,18)
InChIKeyLMMCCCKILDSFAH-UHFFFAOYSA-N
XLogP1.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[7-(methylsulfamoyl)naphthalen-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[7-(methylsulfamoyl)naphthalen-1-yl]ethyl]acetamide (CID 18175028) is N-[2-[7-(methylsulfamoyl)naphthalen-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[7-(methylsulfamoyl)naphthalen-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[7-(methylsulfamoyl)naphthalen-1-yl]ethyl]acetamide is CNS(=O)(=O)c1ccc2cccc(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-[7-(methylsulfamoyl)naphthalen-1-yl]ethyl]acetamide?
The InChIKey is LMMCCCKILDSFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11(18)17-9-8-13-5-3-4-12-6-7-14(10-15(12)13)21(19,20)16-2/h3-7,10,16H,8-9H2,1-2H3,(H,17,18).
What are the key properties of N-[2-[7-(methylsulfamoyl)naphthalen-1-yl]ethyl]acetamide?
N-[2-[7-(methylsulfamoyl)naphthalen-1-yl]ethyl]acetamide has a molecular weight of 306.39 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-(methylsulfamoyl)naphthalen-1-yl]ethyl]acetamide is sourced from PubChem (CID 18175028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).