N,N-diethyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide

C23H25N3O4S — CID 46651853

IUPACN,N-diethyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C23H25N3O4S/c1-3-26(4-2)31(29,30)21-11-7-10-20(16-21)23(28)25-24-22(27)15-17-12-13-18-8-5-6-9-19(18)14-17/h5-14,16H,3-4,15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyIYHZQMTVEFSCRY-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.87
Rot. Bonds7

About N,N-diethyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide

N,N-diethyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide (PubChem CID 46651853) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is N,N-diethyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide
PubChem CID46651853
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC NameN,N-diethyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C23H25N3O4S/c1-3-26(4-2)31(29,30)21-11-7-10-20(16-21)23(28)25-24-22(27)15-17-12-13-18-8-5-6-9-19(18)14-17/h5-14,16H,3-4,15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyIYHZQMTVEFSCRY-UHFFFAOYSA-N
XLogP2.87
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,N-diethyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-3-[[[2-(2-fluorophenyl)acetyl]amino]carbamoyl]benzenesulfonamide
CID 34523393
N-benzyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide
CID 27690215
3-[[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 24638380
N,N-diethyl-3-[(3-methylbutanoylamino)carbamoyl]benzenesulfonamide
CID 26654579
N,N-diethyl-3-[[(3-phenylmethoxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 26654618
N-[3-(diethylsulfamoyl)phenyl]naphthalene-2-carboxamide
CID 7760022
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
N,N-diethyl-3-[[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]carbamoyl]benzenesulfonamide
CID 35506386
3-[[(2-cyclopentylacetyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 2712357
3-[[(3,4-dichlorobenzoyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 26654573
N,N-diethyl-3-[[[2-(3-fluorophenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
CID 2709558
3-[[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 26654520

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide (CID 46651853) is N,N-diethyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2ccc3ccccc3c2)c1.
What is the InChIKey of N,N-diethyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide?
The InChIKey is IYHZQMTVEFSCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-3-26(4-2)31(29,30)21-11-7-10-20(16-21)23(28)25-24-22(27)15-17-12-13-18-8-5-6-9-19(18)14-17/h5-14,16H,3-4,15H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N,N-diethyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide?
N,N-diethyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide has a molecular weight of 439.54 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 46651853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).