4-(dimethylamino)-N-[6-[(2-sulfanylacetyl)amino]hexyl]benzamide

C17H27N3O2S — CID 11279156

IUPAC4-(dimethylamino)-N-[6-[(2-sulfanylacetyl)amino]hexyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCCCCCCNC(=O)CS)cc1
InChIInChI=1S/C17H27N3O2S/c1-20(2)15-9-7-14(8-10-15)17(22)19-12-6-4-3-5-11-18-16(21)13-23/h7-10,23H,3-6,11-13H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyNGLUZLJLVYSKLA-UHFFFAOYSA-N
MW337.49 g/mol
LogP2.09
Rot. Bonds10

About 4-(dimethylamino)-N-[6-[(2-sulfanylacetyl)amino]hexyl]benzamide

4-(dimethylamino)-N-[6-[(2-sulfanylacetyl)amino]hexyl]benzamide (PubChem CID 11279156) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[6-[(2-sulfanylacetyl)amino]hexyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[6-[(2-sulfanylacetyl)amino]hexyl]benzamide
PubChem CID11279156
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name4-(dimethylamino)-N-[6-[(2-sulfanylacetyl)amino]hexyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCCCCCCNC(=O)CS)cc1
InChIInChI=1S/C17H27N3O2S/c1-20(2)15-9-7-14(8-10-15)17(22)19-12-6-4-3-5-11-18-16(21)13-23/h7-10,23H,3-6,11-13H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyNGLUZLJLVYSKLA-UHFFFAOYSA-N
XLogP2.09
TPSA61.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 4-(dimethylamino)-N-[6-[(2-sulfanylacetyl)amino]hexyl]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

Procainamide
CID 4913
N-Acetylprocainamide
CID 4342
Procainamide Hydrochloride
CID 66068
Balicatib
CID 10201696
Acecainide Hydrochloride
CID 71417
4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)benzamide
CID 3994
4-amino-N-benzylbenzamide
CID 577832
Sematilide
CID 58505
Cpi 1189
CID 151118
SK-7041
CID 6918714
SK-7068
CID 9799221
N-[4-(1-oxopropyl)phenyl]acetamide
CID 85655

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[6-[(2-sulfanylacetyl)amino]hexyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[6-[(2-sulfanylacetyl)amino]hexyl]benzamide (CID 11279156) is 4-(dimethylamino)-N-[6-[(2-sulfanylacetyl)amino]hexyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[6-[(2-sulfanylacetyl)amino]hexyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[6-[(2-sulfanylacetyl)amino]hexyl]benzamide is CN(C)c1ccc(C(=O)NCCCCCCNC(=O)CS)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[6-[(2-sulfanylacetyl)amino]hexyl]benzamide?
The InChIKey is NGLUZLJLVYSKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-20(2)15-9-7-14(8-10-15)17(22)19-12-6-4-3-5-11-18-16(21)13-23/h7-10,23H,3-6,11-13H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 4-(dimethylamino)-N-[6-[(2-sulfanylacetyl)amino]hexyl]benzamide?
4-(dimethylamino)-N-[6-[(2-sulfanylacetyl)amino]hexyl]benzamide has a molecular weight of 337.49 g/mol, XLogP of 2.09, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[6-[(2-sulfanylacetyl)amino]hexyl]benzamide is sourced from PubChem (CID 11279156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).