5-(dithiolan-3-yl)-N-[5-[ethyl-[(2-methoxyphenyl)methyl]amino]pentyl]pentanamide

C23H38N2O2S2 — CID 143267194

IUPAC5-(dithiolan-3-yl)-N-[5-[ethyl-[(2-methoxyphenyl)methyl]amino]pentyl]pentanamide
SMILESCCN(CCCCCNC(=O)CCCCC1CCSS1)Cc1ccccc1OC
InChIInChI=1S/C23H38N2O2S2/c1-3-25(19-20-11-5-7-13-22(20)27-2)17-10-4-9-16-24-23(26)14-8-6-12-21-15-18-28-29-21/h5,7,11,13,21H,3-4,6,8-10,12,14-19H2,1-2H3,(H,24,26)
InChIKeyBACSLAVYZITMAG-UHFFFAOYSA-N
MW438.70 g/mol
LogP5.52
Rot. Bonds15

About 5-(dithiolan-3-yl)-N-[5-[ethyl-[(2-methoxyphenyl)methyl]amino]pentyl]pentanamide

5-(dithiolan-3-yl)-N-[5-[ethyl-[(2-methoxyphenyl)methyl]amino]pentyl]pentanamide (PubChem CID 143267194) has the molecular formula C23H38N2O2S2 and a molecular weight of 438.70 g/mol. Its IUPAC name is 5-(dithiolan-3-yl)-N-[5-[ethyl-[(2-methoxyphenyl)methyl]amino]pentyl]pentanamide.

Molecular Properties

Compound Name5-(dithiolan-3-yl)-N-[5-[ethyl-[(2-methoxyphenyl)methyl]amino]pentyl]pentanamide
PubChem CID143267194
Molecular FormulaC23H38N2O2S2
Molecular Weight438.70 g/mol
Exact Mass438.24
IUPAC Name5-(dithiolan-3-yl)-N-[5-[ethyl-[(2-methoxyphenyl)methyl]amino]pentyl]pentanamide
SMILESCCN(CCCCCNC(=O)CCCCC1CCSS1)Cc1ccccc1OC
InChIInChI=1S/C23H38N2O2S2/c1-3-25(19-20-11-5-7-13-22(20)27-2)17-10-4-9-16-24-23(26)14-8-6-12-21-15-18-28-29-21/h5,7,11,13,21H,3-4,6,8-10,12,14-19H2,1-2H3,(H,24,26)
InChIKeyBACSLAVYZITMAG-UHFFFAOYSA-N
XLogP5.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.70
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(dithiolan-3-yl)-N-[5-[ethyl-[(2-methoxyphenyl)methyl]amino]pentyl]pentanamide 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 5-(dithiolan-3-yl)-N-[5-[ethyl-[(2-methoxyphenyl)methyl]amino]pentyl]pentanamide?
The IUPAC name of 5-(dithiolan-3-yl)-N-[5-[ethyl-[(2-methoxyphenyl)methyl]amino]pentyl]pentanamide (CID 143267194) is 5-(dithiolan-3-yl)-N-[5-[ethyl-[(2-methoxyphenyl)methyl]amino]pentyl]pentanamide.
What is the SMILES notation for 5-(dithiolan-3-yl)-N-[5-[ethyl-[(2-methoxyphenyl)methyl]amino]pentyl]pentanamide?
The canonical SMILES for 5-(dithiolan-3-yl)-N-[5-[ethyl-[(2-methoxyphenyl)methyl]amino]pentyl]pentanamide is CCN(CCCCCNC(=O)CCCCC1CCSS1)Cc1ccccc1OC.
What is the InChIKey of 5-(dithiolan-3-yl)-N-[5-[ethyl-[(2-methoxyphenyl)methyl]amino]pentyl]pentanamide?
The InChIKey is BACSLAVYZITMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O2S2/c1-3-25(19-20-11-5-7-13-22(20)27-2)17-10-4-9-16-24-23(26)14-8-6-12-21-15-18-28-29-21/h5,7,11,13,21H,3-4,6,8-10,12,14-19H2,1-2H3,(H,24,26).
What are the key properties of 5-(dithiolan-3-yl)-N-[5-[ethyl-[(2-methoxyphenyl)methyl]amino]pentyl]pentanamide?
5-(dithiolan-3-yl)-N-[5-[ethyl-[(2-methoxyphenyl)methyl]amino]pentyl]pentanamide has a molecular weight of 438.70 g/mol, XLogP of 5.52, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dithiolan-3-yl)-N-[5-[ethyl-[(2-methoxyphenyl)methyl]amino]pentyl]pentanamide is sourced from PubChem (CID 143267194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).