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

C26H23N3O4S — CID 27690215

IUPACN-benzyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide
SMILESO=C(Cc1ccc2ccccc2c1)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C26H23N3O4S/c30-25(16-20-13-14-21-9-4-5-10-22(21)15-20)28-29-26(31)23-11-6-12-24(17-23)34(32,33)27-18-19-7-2-1-3-8-19/h1-15,17,27H,16,18H2,(H,28,30)(H,29,31)
InChIKeySOJHJFNSYNNMPR-UHFFFAOYSA-N
MW473.55 g/mol
LogP3.32
Rot. Bonds7

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

N-benzyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide (PubChem CID 27690215) has the molecular formula C26H23N3O4S and a molecular weight of 473.55 g/mol. Its IUPAC name is N-benzyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide
PubChem CID27690215
Molecular FormulaC26H23N3O4S
Molecular Weight473.55 g/mol
Exact Mass473.14
IUPAC NameN-benzyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide
SMILESO=C(Cc1ccc2ccccc2c1)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C26H23N3O4S/c30-25(16-20-13-14-21-9-4-5-10-22(21)15-20)28-29-26(31)23-11-6-12-24(17-23)34(32,33)27-18-19-7-2-1-3-8-19/h1-15,17,27H,16,18H2,(H,28,30)(H,29,31)
InChIKeySOJHJFNSYNNMPR-UHFFFAOYSA-N
XLogP3.32
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-benzyl-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-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide
CID 46651853
N-[3-[2-[3-(benzylsulfamoyl)benzoyl]hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 26826496
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
N-[2-[2-[3-(benzylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
CID 27690298
N-benzyl-3-[[(3-methoxy-4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 26587155
N-benzyl-3-[[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]carbamoyl]benzenesulfonamide
CID 4790967
3-[[[2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetyl]amino]carbamoyl]-N-benzylbenzenesulfonamide
CID 51510456
N-benzyl-3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 24502761
N-benzyl-3-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]carbamoyl]benzenesulfonamide
CID 39901705
3-(benzylsulfamoyl)-N-cyclopropylbenzamide
CID 9165600
N-benzyl-3-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 26247665
N-benzyl-3-[[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]carbamoyl]benzenesulfonamide
CID 26826500

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N-benzyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide (CID 27690215) is N-benzyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide is O=C(Cc1ccc2ccccc2c1)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide?
The InChIKey is SOJHJFNSYNNMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4S/c30-25(16-20-13-14-21-9-4-5-10-22(21)15-20)28-29-26(31)23-11-6-12-24(17-23)34(32,33)27-18-19-7-2-1-3-8-19/h1-15,17,27H,16,18H2,(H,28,30)(H,29,31).
What are the key properties of N-benzyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide?
N-benzyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide has a molecular weight of 473.55 g/mol, XLogP of 3.32, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 27690215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).