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'}

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Related Compounds

5-(dithiolan-3-yl)-N-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexyl]pentanamide
CID 11698149
benzyl N-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propyl]carbamate
CID 23625344
5-[(3S)-dithiolan-3-yl]-N-(3-hydroxypropyl)pentanamide
CID 96544742
N-(2,4-dimethoxyphenyl)-5-[(3R)-dithiolan-3-yl]pentanamide
CID 92826449
2,5-dichloro-3,6-bis[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexylamino]cyclohexa-2,5-diene-1,4-dione
CID 23624875
methyl N-[2-[ethyl-[(2-methoxyphenyl)methyl]amino]ethyl]carbamate;propane
CID 159616458
1-(3,4-dimethoxyphenyl)-7-[ethyl-[(2-methoxyphenyl)methyl]amino]heptan-1-one;hydrochloride
CID 19921887
9-(dithiolan-3-yl)-N-[3-(2-methylprop-2-enoylamino)propyl]nonanamide
CID 118143890
N-[2-[2-[5-(dithiolan-3-yl)pentanoylamino]ethylamino]ethyl]-2-hydroxybenzamide
CID 51348159
methyl N-[4-(dithiolan-3-yl)butyl]carbamate
CID 18358080
N-[3-[2-[5-(dithiolan-3-yl)pentanoylamino]ethylamino]propyl]-2-hydroxybenzamide
CID 87273201
5-(dithiolan-3-yl)-N-(4-methoxy-1,3-benzothiazol-2-yl)pentanamide
CID 24644835

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).