N-[4-(dibutylsulfamoyl)naphthalen-1-yl]sulfonylacetamide

C20H28N2O5S2 — CID 154206907

IUPACN-[4-(dibutylsulfamoyl)naphthalen-1-yl]sulfonylacetamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(S(=O)(=O)NC(C)=O)c2ccccc12
InChIInChI=1S/C20H28N2O5S2/c1-4-6-14-22(15-7-5-2)29(26,27)20-13-12-19(28(24,25)21-16(3)23)17-10-8-9-11-18(17)20/h8-13H,4-7,14-15H2,1-3H3,(H,21,23)
InChIKeyNEVBSEFVWNGUOJ-UHFFFAOYSA-N
MW440.59 g/mol
LogP3.26
Rot. Bonds10

About N-[4-(dibutylsulfamoyl)naphthalen-1-yl]sulfonylacetamide

N-[4-(dibutylsulfamoyl)naphthalen-1-yl]sulfonylacetamide (PubChem CID 154206907) has the molecular formula C20H28N2O5S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-[4-(dibutylsulfamoyl)naphthalen-1-yl]sulfonylacetamide.

Molecular Properties

Compound NameN-[4-(dibutylsulfamoyl)naphthalen-1-yl]sulfonylacetamide
PubChem CID154206907
Molecular FormulaC20H28N2O5S2
Molecular Weight440.59 g/mol
Exact Mass440.14
IUPAC NameN-[4-(dibutylsulfamoyl)naphthalen-1-yl]sulfonylacetamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(S(=O)(=O)NC(C)=O)c2ccccc12
InChIInChI=1S/C20H28N2O5S2/c1-4-6-14-22(15-7-5-2)29(26,27)20-13-12-19(28(24,25)21-16(3)23)17-10-8-9-11-18(17)20/h8-13H,4-7,14-15H2,1-3H3,(H,21,23)
InChIKeyNEVBSEFVWNGUOJ-UHFFFAOYSA-N
XLogP3.26
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dibutylsulfamoyl)naphthalen-1-yl]sulfonylacetamide?
The IUPAC name of N-[4-(dibutylsulfamoyl)naphthalen-1-yl]sulfonylacetamide (CID 154206907) is N-[4-(dibutylsulfamoyl)naphthalen-1-yl]sulfonylacetamide.
What is the SMILES notation for N-[4-(dibutylsulfamoyl)naphthalen-1-yl]sulfonylacetamide?
The canonical SMILES for N-[4-(dibutylsulfamoyl)naphthalen-1-yl]sulfonylacetamide is CCCCN(CCCC)S(=O)(=O)c1ccc(S(=O)(=O)NC(C)=O)c2ccccc12.
What is the InChIKey of N-[4-(dibutylsulfamoyl)naphthalen-1-yl]sulfonylacetamide?
The InChIKey is NEVBSEFVWNGUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5S2/c1-4-6-14-22(15-7-5-2)29(26,27)20-13-12-19(28(24,25)21-16(3)23)17-10-8-9-11-18(17)20/h8-13H,4-7,14-15H2,1-3H3,(H,21,23).
What are the key properties of N-[4-(dibutylsulfamoyl)naphthalen-1-yl]sulfonylacetamide?
N-[4-(dibutylsulfamoyl)naphthalen-1-yl]sulfonylacetamide has a molecular weight of 440.59 g/mol, XLogP of 3.26, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dibutylsulfamoyl)naphthalen-1-yl]sulfonylacetamide is sourced from PubChem (CID 154206907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).