4-[2-(naphthalen-2-ylsulfonylamino)propanoylamino]benzamide

C20H19N3O4S — CID 4532782

IUPAC4-[2-(naphthalen-2-ylsulfonylamino)propanoylamino]benzamide
SMILESCC(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C20H19N3O4S/c1-13(20(25)22-17-9-6-15(7-10-17)19(21)24)23-28(26,27)18-11-8-14-4-2-3-5-16(14)12-18/h2-13,23H,1H3,(H2,21,24)(H,22,25)
InChIKeyYBVJJQJBFXNALW-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.24
Rot. Bonds6

About 4-[2-(naphthalen-2-ylsulfonylamino)propanoylamino]benzamide

4-[2-(naphthalen-2-ylsulfonylamino)propanoylamino]benzamide (PubChem CID 4532782) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 4-[2-(naphthalen-2-ylsulfonylamino)propanoylamino]benzamide.

Molecular Properties

Compound Name4-[2-(naphthalen-2-ylsulfonylamino)propanoylamino]benzamide
PubChem CID4532782
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name4-[2-(naphthalen-2-ylsulfonylamino)propanoylamino]benzamide
SMILESCC(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C20H19N3O4S/c1-13(20(25)22-17-9-6-15(7-10-17)19(21)24)23-28(26,27)18-11-8-14-4-2-3-5-16(14)12-18/h2-13,23H,1H3,(H2,21,24)(H,22,25)
InChIKeyYBVJJQJBFXNALW-UHFFFAOYSA-N
XLogP2.24
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[2-(naphthalen-2-ylsulfonylamino)propanoylamino]benzamide 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

4-[[(2R)-2-(naphthalen-2-ylsulfonylamino)propanoyl]amino]benzamide
CID 40645986
(2R)-2-(naphthalen-2-ylsulfonylamino)-N-phenylpropanamide
CID 7393168
(2S)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide
CID 51618284
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide
CID 24639028
(2R)-2-(naphthalen-2-ylamino)-N-(4-sulfamoylphenyl)propanamide
CID 7775072
2-[(4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide
CID 2980013
(2S)-2-(benzenesulfonamido)-N-phenylpropanamide
CID 41330853
3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 25040862
N-naphthalen-2-yl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 166190909
2-[(4-methylphenyl)sulfonylamino]-N-phenylpropanamide
CID 5205930
2-(benzenesulfonamido)-N-(4-methoxyphenyl)propanamide
CID 3923761
4-[2-(carbamoylamino)propanoylamino]benzamide
CID 24640882

Frequently Asked Questions

What is the IUPAC name of 4-[2-(naphthalen-2-ylsulfonylamino)propanoylamino]benzamide?
The IUPAC name of 4-[2-(naphthalen-2-ylsulfonylamino)propanoylamino]benzamide (CID 4532782) is 4-[2-(naphthalen-2-ylsulfonylamino)propanoylamino]benzamide.
What is the SMILES notation for 4-[2-(naphthalen-2-ylsulfonylamino)propanoylamino]benzamide?
The canonical SMILES for 4-[2-(naphthalen-2-ylsulfonylamino)propanoylamino]benzamide is CC(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[2-(naphthalen-2-ylsulfonylamino)propanoylamino]benzamide?
The InChIKey is YBVJJQJBFXNALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-13(20(25)22-17-9-6-15(7-10-17)19(21)24)23-28(26,27)18-11-8-14-4-2-3-5-16(14)12-18/h2-13,23H,1H3,(H2,21,24)(H,22,25).
What are the key properties of 4-[2-(naphthalen-2-ylsulfonylamino)propanoylamino]benzamide?
4-[2-(naphthalen-2-ylsulfonylamino)propanoylamino]benzamide has a molecular weight of 397.46 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(naphthalen-2-ylsulfonylamino)propanoylamino]benzamide is sourced from PubChem (CID 4532782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).