N,N-diethyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide

C21H26N2O3S — CID 7938792

IUPACN,N-diethyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide
SMILESCCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C21H26N2O3S/c1-3-23(4-2)21(24)17-9-12-19(13-10-17)22-27(25,26)20-14-11-16-7-5-6-8-18(16)15-20/h9-15,22H,3-8H2,1-2H3
InChIKeyGPKOQZUNZYBBNN-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.85
Rot. Bonds6

About N,N-diethyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide

N,N-diethyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide (PubChem CID 7938792) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N,N-diethyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide
PubChem CID7938792
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN,N-diethyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide
SMILESCCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C21H26N2O3S/c1-3-23(4-2)21(24)17-9-12-19(13-10-17)22-27(25,26)20-14-11-16-7-5-6-8-18(16)15-20/h9-15,22H,3-8H2,1-2H3
InChIKeyGPKOQZUNZYBBNN-UHFFFAOYSA-N
XLogP3.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N,N-diethylbenzamide
CID 51177921
4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N-dimethylbenzamide
CID 24580864
N,N-diethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide
CID 7586489
N,N-diethyl-4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 47516560
3-[(4-acetylphenyl)sulfamoyl]-N,N-diethylbenzamide
CID 109065110
4-[(6-chloro-3-pyridinyl)sulfonylamino]-N,N-diethylbenzamide
CID 2683843
[4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]urea
CID 33488490
3-[[4-(dimethylamino)phenyl]sulfamoyl]-N,N-diethylbenzamide
CID 109065116
N,N-diethyl-4-[(3-fluorophenyl)sulfamoyl]benzamide
CID 47946318
N-cyclopropyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]acetamide
CID 113094117
4-[(4-ethylphenyl)sulfamoyl]-N,N-dipropylbenzamide
CID 109061565
N-ethyl-4-[(4-methylphenyl)sulfamoyl]-N-(2-methylprop-2-enyl)benzamide
CID 29265946

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide?
The IUPAC name of N,N-diethyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide (CID 7938792) is N,N-diethyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N,N-diethyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N,N-diethyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide is CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of N,N-diethyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide?
The InChIKey is GPKOQZUNZYBBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-3-23(4-2)21(24)17-9-12-19(13-10-17)22-27(25,26)20-14-11-16-7-5-6-8-18(16)15-20/h9-15,22H,3-8H2,1-2H3.
What are the key properties of N,N-diethyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide?
N,N-diethyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide has a molecular weight of 386.52 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 7938792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).