2-[(3-propoxy-2-pyridinyl)sulfanyl]-N-(2,4,6-trimethylphenyl)decanamide

C27H40N2O2S — CID 14995405

IUPAC2-[(3-propoxy-2-pyridinyl)sulfanyl]-N-(2,4,6-trimethylphenyl)decanamide
SMILESCCCCCCCCC(Sc1ncccc1OCCC)C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C27H40N2O2S/c1-6-8-9-10-11-12-15-24(32-27-23(31-17-7-2)14-13-16-28-27)26(30)29-25-21(4)18-20(3)19-22(25)5/h13-14,16,18-19,24H,6-12,15,17H2,1-5H3,(H,29,30)
InChIKeyPPBYAJIJZCBSGM-UHFFFAOYSA-N
MW456.70 g/mol
LogP7.65
Rot. Bonds14

About 2-[(3-propoxy-2-pyridinyl)sulfanyl]-N-(2,4,6-trimethylphenyl)decanamide

2-[(3-propoxy-2-pyridinyl)sulfanyl]-N-(2,4,6-trimethylphenyl)decanamide (PubChem CID 14995405) has the molecular formula C27H40N2O2S and a molecular weight of 456.70 g/mol. Its IUPAC name is 2-[(3-propoxy-2-pyridinyl)sulfanyl]-N-(2,4,6-trimethylphenyl)decanamide.

Molecular Properties

Compound Name2-[(3-propoxy-2-pyridinyl)sulfanyl]-N-(2,4,6-trimethylphenyl)decanamide
PubChem CID14995405
Molecular FormulaC27H40N2O2S
Molecular Weight456.70 g/mol
Exact Mass456.28
IUPAC Name2-[(3-propoxy-2-pyridinyl)sulfanyl]-N-(2,4,6-trimethylphenyl)decanamide
SMILESCCCCCCCCC(Sc1ncccc1OCCC)C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C27H40N2O2S/c1-6-8-9-10-11-12-15-24(32-27-23(31-17-7-2)14-13-16-28-27)26(30)29-25-21(4)18-20(3)19-22(25)5/h13-14,16,18-19,24H,6-12,15,17H2,1-5H3,(H,29,30)
InChIKeyPPBYAJIJZCBSGM-UHFFFAOYSA-N
XLogP7.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.70
LogP ≤ 57.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-(2,4,6-trimethylphenyl)hexanamide
CID 103830837
1-(2-propoxyphenyl)heptan-1-ol
CID 113438141
2-[2-(2-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 27372713
(2R)-2-pyridin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 674012
2-propyl-N-(2,4,6-trimethylphenyl)pentanamide
CID 11841490
4-pentoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 4935004
(2R)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide
CID 92742238
N-[4,6-bis(methylsulfanyl)pyrimidin-5-yl]-2-hexylsulfanyldecanamide
CID 19027774
1-[2-(2-ethylphenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 112971734
5-bromo-2-propoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 17351395
methyl 2-(2-octoxyphenyl)acetate
CID 70186261
N-dodecyl-N'-(2,4,6-trimethylphenyl)oxamide
CID 3100446

Frequently Asked Questions

What is the IUPAC name of 2-[(3-propoxy-2-pyridinyl)sulfanyl]-N-(2,4,6-trimethylphenyl)decanamide?
The IUPAC name of 2-[(3-propoxy-2-pyridinyl)sulfanyl]-N-(2,4,6-trimethylphenyl)decanamide (CID 14995405) is 2-[(3-propoxy-2-pyridinyl)sulfanyl]-N-(2,4,6-trimethylphenyl)decanamide.
What is the SMILES notation for 2-[(3-propoxy-2-pyridinyl)sulfanyl]-N-(2,4,6-trimethylphenyl)decanamide?
The canonical SMILES for 2-[(3-propoxy-2-pyridinyl)sulfanyl]-N-(2,4,6-trimethylphenyl)decanamide is CCCCCCCCC(Sc1ncccc1OCCC)C(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of 2-[(3-propoxy-2-pyridinyl)sulfanyl]-N-(2,4,6-trimethylphenyl)decanamide?
The InChIKey is PPBYAJIJZCBSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N2O2S/c1-6-8-9-10-11-12-15-24(32-27-23(31-17-7-2)14-13-16-28-27)26(30)29-25-21(4)18-20(3)19-22(25)5/h13-14,16,18-19,24H,6-12,15,17H2,1-5H3,(H,29,30).
What are the key properties of 2-[(3-propoxy-2-pyridinyl)sulfanyl]-N-(2,4,6-trimethylphenyl)decanamide?
2-[(3-propoxy-2-pyridinyl)sulfanyl]-N-(2,4,6-trimethylphenyl)decanamide has a molecular weight of 456.70 g/mol, XLogP of 7.65, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propoxy-2-pyridinyl)sulfanyl]-N-(2,4,6-trimethylphenyl)decanamide is sourced from PubChem (CID 14995405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).