N-[2-(diethylamino)-2-oxoethyl]-4-(naphthalen-2-ylsulfonylamino)benzamide

C23H25N3O4S — CID 34837601

IUPACN-[2-(diethylamino)-2-oxoethyl]-4-(naphthalen-2-ylsulfonylamino)benzamide
SMILESCCN(CC)C(=O)CNC(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H25N3O4S/c1-3-26(4-2)22(27)16-24-23(28)18-9-12-20(13-10-18)25-31(29,30)21-14-11-17-7-5-6-8-19(17)15-21/h5-15,25H,3-4,16H2,1-2H3,(H,24,28)
InChIKeyOLLXZCUSJOMWIO-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.24
Rot. Bonds8

About N-[2-(diethylamino)-2-oxoethyl]-4-(naphthalen-2-ylsulfonylamino)benzamide

N-[2-(diethylamino)-2-oxoethyl]-4-(naphthalen-2-ylsulfonylamino)benzamide (PubChem CID 34837601) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-oxoethyl]-4-(naphthalen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-oxoethyl]-4-(naphthalen-2-ylsulfonylamino)benzamide
PubChem CID34837601
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC NameN-[2-(diethylamino)-2-oxoethyl]-4-(naphthalen-2-ylsulfonylamino)benzamide
SMILESCCN(CC)C(=O)CNC(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H25N3O4S/c1-3-26(4-2)22(27)16-24-23(28)18-9-12-20(13-10-18)25-31(29,30)21-14-11-17-7-5-6-8-19(17)15-21/h5-15,25H,3-4,16H2,1-2H3,(H,24,28)
InChIKeyOLLXZCUSJOMWIO-UHFFFAOYSA-N
XLogP3.24
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(naphthalen-2-ylsulfonylamino)benzoyl]amino]acetate
CID 7042185
N-hydroxy-4-(naphthalen-2-ylsulfonylamino)benzamide
CID 86231375
N-(1-acetamido-2-oxoheptan-3-yl)-4-(naphthalen-2-ylsulfonylamino)benzamide
CID 18435536
3-[(4-acetylphenyl)sulfamoyl]-N,N-diethylbenzamide
CID 109065110
N,N-diethyl-2-naphthalen-2-ylsulfonylacetamide
CID 56731913
N-[4-(dimethylsulfamoyl)phenyl]naphthalene-2-sulfonamide
CID 2098625
N,N-diethyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide
CID 7938792
2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetic acid
CID 2412067
4-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]-N-propylbenzamide
CID 55948759
4-[(3,4-dimethylphenyl)sulfonylamino]-N-ethylbenzamide
CID 51163080
N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide
CID 3997695
3-[[4-(dimethylamino)phenyl]sulfamoyl]-N,N-diethylbenzamide
CID 109065116

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-4-(naphthalen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-4-(naphthalen-2-ylsulfonylamino)benzamide (CID 34837601) is N-[2-(diethylamino)-2-oxoethyl]-4-(naphthalen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[2-(diethylamino)-2-oxoethyl]-4-(naphthalen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[2-(diethylamino)-2-oxoethyl]-4-(naphthalen-2-ylsulfonylamino)benzamide is CCN(CC)C(=O)CNC(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[2-(diethylamino)-2-oxoethyl]-4-(naphthalen-2-ylsulfonylamino)benzamide?
The InChIKey is OLLXZCUSJOMWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-3-26(4-2)22(27)16-24-23(28)18-9-12-20(13-10-18)25-31(29,30)21-14-11-17-7-5-6-8-19(17)15-21/h5-15,25H,3-4,16H2,1-2H3,(H,24,28).
What are the key properties of N-[2-(diethylamino)-2-oxoethyl]-4-(naphthalen-2-ylsulfonylamino)benzamide?
N-[2-(diethylamino)-2-oxoethyl]-4-(naphthalen-2-ylsulfonylamino)benzamide has a molecular weight of 439.54 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-oxoethyl]-4-(naphthalen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 34837601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).