N'-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-5-thiophen-2-ylpentanehydrazide

C21H25N3O3S2 — CID 3398109

IUPACN'-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-5-thiophen-2-ylpentanehydrazide
SMILESCN(C)c1cccc2c(S(=O)(=O)NNC(=O)CCCCc3cccs3)cccc12
InChIInChI=1S/C21H25N3O3S2/c1-24(2)19-12-5-11-18-17(19)10-6-13-20(18)29(26,27)23-22-21(25)14-4-3-8-16-9-7-15-28-16/h5-7,9-13,15,23H,3-4,8,14H2,1-2H3,(H,22,25)
InChIKeyUYBGESWVJLINCP-UHFFFAOYSA-N
MW431.58 g/mol
LogP3.69
Rot. Bonds9

About N'-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-5-thiophen-2-ylpentanehydrazide

N'-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-5-thiophen-2-ylpentanehydrazide (PubChem CID 3398109) has the molecular formula C21H25N3O3S2 and a molecular weight of 431.58 g/mol. Its IUPAC name is N'-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-5-thiophen-2-ylpentanehydrazide.

Molecular Properties

Compound NameN'-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-5-thiophen-2-ylpentanehydrazide
PubChem CID3398109
Molecular FormulaC21H25N3O3S2
Molecular Weight431.58 g/mol
Exact Mass431.13
IUPAC NameN'-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-5-thiophen-2-ylpentanehydrazide
SMILESCN(C)c1cccc2c(S(=O)(=O)NNC(=O)CCCCc3cccs3)cccc12
InChIInChI=1S/C21H25N3O3S2/c1-24(2)19-12-5-11-18-17(19)10-6-13-20(18)29(26,27)23-22-21(25)14-4-3-8-16-9-7-15-28-16/h5-7,9-13,15,23H,3-4,8,14H2,1-2H3,(H,22,25)
InChIKeyUYBGESWVJLINCP-UHFFFAOYSA-N
XLogP3.69
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-5-thiophen-2-ylpentanehydrazide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-5-thiophen-2-ylpentanehydrazide?
The IUPAC name of N'-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-5-thiophen-2-ylpentanehydrazide (CID 3398109) is N'-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-5-thiophen-2-ylpentanehydrazide.
What is the SMILES notation for N'-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-5-thiophen-2-ylpentanehydrazide?
The canonical SMILES for N'-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-5-thiophen-2-ylpentanehydrazide is CN(C)c1cccc2c(S(=O)(=O)NNC(=O)CCCCc3cccs3)cccc12.
What is the InChIKey of N'-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-5-thiophen-2-ylpentanehydrazide?
The InChIKey is UYBGESWVJLINCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S2/c1-24(2)19-12-5-11-18-17(19)10-6-13-20(18)29(26,27)23-22-21(25)14-4-3-8-16-9-7-15-28-16/h5-7,9-13,15,23H,3-4,8,14H2,1-2H3,(H,22,25).
What are the key properties of N'-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-5-thiophen-2-ylpentanehydrazide?
N'-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-5-thiophen-2-ylpentanehydrazide has a molecular weight of 431.58 g/mol, XLogP of 3.69, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-5-thiophen-2-ylpentanehydrazide is sourced from PubChem (CID 3398109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).