N-methyl-3-[[3-methyl-2-(naphthalen-2-ylsulfonylamino)butanoyl]amino]benzamide

C23H25N3O4S — CID 42892638

IUPACN-methyl-3-[[3-methyl-2-(naphthalen-2-ylsulfonylamino)butanoyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)C(NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)c1
InChIInChI=1S/C23H25N3O4S/c1-15(2)21(23(28)25-19-10-6-9-18(13-19)22(27)24-3)26-31(29,30)20-12-11-16-7-4-5-8-17(16)14-20/h4-15,21,26H,1-3H3,(H,24,27)(H,25,28)
InChIKeyOHXGVGSGTWNLQU-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.14
Rot. Bonds7

About N-methyl-3-[[3-methyl-2-(naphthalen-2-ylsulfonylamino)butanoyl]amino]benzamide

N-methyl-3-[[3-methyl-2-(naphthalen-2-ylsulfonylamino)butanoyl]amino]benzamide (PubChem CID 42892638) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-methyl-3-[[3-methyl-2-(naphthalen-2-ylsulfonylamino)butanoyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[3-methyl-2-(naphthalen-2-ylsulfonylamino)butanoyl]amino]benzamide
PubChem CID42892638
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC NameN-methyl-3-[[3-methyl-2-(naphthalen-2-ylsulfonylamino)butanoyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)C(NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)c1
InChIInChI=1S/C23H25N3O4S/c1-15(2)21(23(28)25-19-10-6-9-18(13-19)22(27)24-3)26-31(29,30)20-12-11-16-7-4-5-8-17(16)14-20/h4-15,21,26H,1-3H3,(H,24,27)(H,25,28)
InChIKeyOHXGVGSGTWNLQU-UHFFFAOYSA-N
XLogP3.14
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-methyl-3-[[3-methyl-2-(naphthalen-2-ylsulfonylamino)butanoyl]amino]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

3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-(3-propan-2-ylphenyl)butanamide
CID 18226548
(2S)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide
CID 51618284
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide
CID 24639028
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-propylbutanamide
CID 18160933
3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 25040862
(2R)-2-(naphthalen-2-ylsulfonylamino)-N-phenylpropanamide
CID 7393168
[2-(3-acetylanilino)-2-oxoethyl] 3-hydroxy-2-(naphthalen-2-ylsulfonylamino)butanoate
CID 4847643
(2R)-N-ethoxy-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 30690800
N-[(2-fluorophenyl)methyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 43006861
N-[2-(diethylamino)ethyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 43020352
(2S)-N-[2-(diethylamino)ethyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 29369119
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 24642191

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[3-methyl-2-(naphthalen-2-ylsulfonylamino)butanoyl]amino]benzamide?
The IUPAC name of N-methyl-3-[[3-methyl-2-(naphthalen-2-ylsulfonylamino)butanoyl]amino]benzamide (CID 42892638) is N-methyl-3-[[3-methyl-2-(naphthalen-2-ylsulfonylamino)butanoyl]amino]benzamide.
What is the SMILES notation for N-methyl-3-[[3-methyl-2-(naphthalen-2-ylsulfonylamino)butanoyl]amino]benzamide?
The canonical SMILES for N-methyl-3-[[3-methyl-2-(naphthalen-2-ylsulfonylamino)butanoyl]amino]benzamide is CNC(=O)c1cccc(NC(=O)C(NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)c1.
What is the InChIKey of N-methyl-3-[[3-methyl-2-(naphthalen-2-ylsulfonylamino)butanoyl]amino]benzamide?
The InChIKey is OHXGVGSGTWNLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-15(2)21(23(28)25-19-10-6-9-18(13-19)22(27)24-3)26-31(29,30)20-12-11-16-7-4-5-8-17(16)14-20/h4-15,21,26H,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-methyl-3-[[3-methyl-2-(naphthalen-2-ylsulfonylamino)butanoyl]amino]benzamide?
N-methyl-3-[[3-methyl-2-(naphthalen-2-ylsulfonylamino)butanoyl]amino]benzamide has a molecular weight of 439.54 g/mol, XLogP of 3.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[3-methyl-2-(naphthalen-2-ylsulfonylamino)butanoyl]amino]benzamide is sourced from PubChem (CID 42892638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).