N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylacetamide

C22H25N3O3S — CID 9464398

IUPACN-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylacetamide
SMILESCN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C22H25N3O3S/c1-24(2)21-13-12-18(29(27,28)25(3)4)15-20(21)23-22(26)14-17-10-7-9-16-8-5-6-11-19(16)17/h5-13,15H,14H2,1-4H3,(H,23,26)
InChIKeyFLFKCNNOBWIBRV-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.34
Rot. Bonds6

About N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylacetamide

N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylacetamide (PubChem CID 9464398) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylacetamide
PubChem CID9464398
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC NameN-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylacetamide
SMILESCN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C22H25N3O3S/c1-24(2)21-13-12-18(29(27,28)25(3)4)15-20(21)23-22(26)14-17-10-7-9-16-8-5-6-11-19(16)17/h5-13,15H,14H2,1-4H3,(H,23,26)
InChIKeyFLFKCNNOBWIBRV-UHFFFAOYSA-N
XLogP3.34
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylacetamide (CID 9464398) is N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylacetamide is CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1cccc2ccccc12.
What is the InChIKey of N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylacetamide?
The InChIKey is FLFKCNNOBWIBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-24(2)21-13-12-18(29(27,28)25(3)4)15-20(21)23-22(26)14-17-10-7-9-16-8-5-6-11-19(16)17/h5-13,15H,14H2,1-4H3,(H,23,26).
What are the key properties of N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylacetamide?
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylacetamide has a molecular weight of 411.53 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 9464398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).