N-[3-(diethylsulfamoyl)phenyl]naphthalene-2-carboxamide

C21H22N2O3S — CID 7760022

IUPACN-[3-(diethylsulfamoyl)phenyl]naphthalene-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C21H22N2O3S/c1-3-23(4-2)27(25,26)20-11-7-10-19(15-20)22-21(24)18-13-12-16-8-5-6-9-17(16)14-18/h5-15H,3-4H2,1-2H3,(H,22,24)
InChIKeyLLMDPTIRTCZLBJ-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.12
Rot. Bonds6

About N-[3-(diethylsulfamoyl)phenyl]naphthalene-2-carboxamide

N-[3-(diethylsulfamoyl)phenyl]naphthalene-2-carboxamide (PubChem CID 7760022) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)phenyl]naphthalene-2-carboxamide
PubChem CID7760022
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC NameN-[3-(diethylsulfamoyl)phenyl]naphthalene-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C21H22N2O3S/c1-3-23(4-2)27(25,26)20-11-7-10-19(15-20)22-21(24)18-13-12-16-8-5-6-9-17(16)14-18/h5-15H,3-4H2,1-2H3,(H,22,24)
InChIKeyLLMDPTIRTCZLBJ-UHFFFAOYSA-N
XLogP4.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-N-[3-(diethylsulfamoyl)phenyl]benzamide
CID 7760016
N-[3-(diethylsulfamoyl)-4-methylphenyl]naphthalene-2-carboxamide
CID 18285223
N-[3-(diethylsulfamoyl)phenyl]naphthalene-1-carboxamide
CID 26252213
N-[3-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 4800184
N-[3-(diethylsulfamoyl)phenyl]-3-(methoxymethyl)benzamide
CID 8777307
3-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2666414
N,N-diethyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide
CID 46651853
N-[3-(diethylsulfamoyl)phenyl]-4-pyrazol-1-ylbenzamide
CID 25442987
3-(diethylsulfamoyl)-N-(4-ethylphenyl)benzamide
CID 2684396
methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]benzoate
CID 2676516
N-(3-acetylphenyl)naphthalene-2-carboxamide
CID 2274462
N-[3-(diethylsulfamoyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 8933526

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-(diethylsulfamoyl)phenyl]naphthalene-2-carboxamide (CID 7760022) is N-[3-(diethylsulfamoyl)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)phenyl]naphthalene-2-carboxamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of N-[3-(diethylsulfamoyl)phenyl]naphthalene-2-carboxamide?
The InChIKey is LLMDPTIRTCZLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-3-23(4-2)27(25,26)20-11-7-10-19(15-20)22-21(24)18-13-12-16-8-5-6-9-17(16)14-18/h5-15H,3-4H2,1-2H3,(H,22,24).
What are the key properties of N-[3-(diethylsulfamoyl)phenyl]naphthalene-2-carboxamide?
N-[3-(diethylsulfamoyl)phenyl]naphthalene-2-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 7760022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).