2-hexylsulfanyl-N-(4-methoxy-6-propan-2-ylsulfanylpyrimidin-5-yl)decanamide

C24H43N3O2S2 — CID 67710039

IUPAC2-hexylsulfanyl-N-(4-methoxy-6-propan-2-ylsulfanylpyrimidin-5-yl)decanamide
SMILESCCCCCCCCC(SCCCCCC)C(=O)Nc1c(OC)ncnc1SC(C)C
InChIInChI=1S/C24H43N3O2S2/c1-6-8-10-12-13-14-16-20(30-17-15-11-9-7-2)22(28)27-21-23(29-5)25-18-26-24(21)31-19(3)4/h18-20H,6-17H2,1-5H3,(H,27,28)
InChIKeyIYOMIBOEYSVLAJ-UHFFFAOYSA-N
MW469.76 g/mol
LogP7.36
Rot. Bonds18

About 2-hexylsulfanyl-N-(4-methoxy-6-propan-2-ylsulfanylpyrimidin-5-yl)decanamide

2-hexylsulfanyl-N-(4-methoxy-6-propan-2-ylsulfanylpyrimidin-5-yl)decanamide (PubChem CID 67710039) has the molecular formula C24H43N3O2S2 and a molecular weight of 469.76 g/mol. Its IUPAC name is 2-hexylsulfanyl-N-(4-methoxy-6-propan-2-ylsulfanylpyrimidin-5-yl)decanamide.

Molecular Properties

Compound Name2-hexylsulfanyl-N-(4-methoxy-6-propan-2-ylsulfanylpyrimidin-5-yl)decanamide
PubChem CID67710039
Molecular FormulaC24H43N3O2S2
Molecular Weight469.76 g/mol
Exact Mass469.28
IUPAC Name2-hexylsulfanyl-N-(4-methoxy-6-propan-2-ylsulfanylpyrimidin-5-yl)decanamide
SMILESCCCCCCCCC(SCCCCCC)C(=O)Nc1c(OC)ncnc1SC(C)C
InChIInChI=1S/C24H43N3O2S2/c1-6-8-10-12-13-14-16-20(30-17-15-11-9-7-2)22(28)27-21-23(29-5)25-18-26-24(21)31-19(3)4/h18-20H,6-17H2,1-5H3,(H,27,28)
InChIKeyIYOMIBOEYSVLAJ-UHFFFAOYSA-N
XLogP7.36
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.76
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxy-6-methylsulfanylpyrimidin-5-yl)-2-hexylsulfanyldecanamide
CID 67710032
N-[4,6-bis(methylsulfanyl)pyrimidin-5-yl]-2-hexylsulfanyldecanamide
CID 19027774
2-hexylsulfanyl-N-imidazo[1,2-a]pyridin-3-yldecanamide
CID 14995435
N-(4-ethoxy-6-methylsulfanylpyrimidin-5-yl)-2-hexyldecanethioamide
CID 54409449
methyl 2-(6-fluorohexylsulfanyl)heptanoate
CID 87342235
2-hexylsulfanyldecanoyl chloride
CID 19027841
2-(4-tert-butylphenyl)sulfanyl-N-(2,4,6-trimethoxyphenyl)octanamide
CID 14995488
2-[(3-propoxy-2-pyridinyl)sulfanyl]-N-(2,4,6-trimethylphenyl)decanamide
CID 14995405
2-dodecylsulfanylhexanoic acid
CID 89266983
2-hexadecylsulfanylhexanoic acid
CID 58722589
methyl 2-quinazolin-4-ylsulfanylhexanoate
CID 115608238
2-amino-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pentanamide
CID 43701419

Frequently Asked Questions

What is the IUPAC name of 2-hexylsulfanyl-N-(4-methoxy-6-propan-2-ylsulfanylpyrimidin-5-yl)decanamide?
The IUPAC name of 2-hexylsulfanyl-N-(4-methoxy-6-propan-2-ylsulfanylpyrimidin-5-yl)decanamide (CID 67710039) is 2-hexylsulfanyl-N-(4-methoxy-6-propan-2-ylsulfanylpyrimidin-5-yl)decanamide.
What is the SMILES notation for 2-hexylsulfanyl-N-(4-methoxy-6-propan-2-ylsulfanylpyrimidin-5-yl)decanamide?
The canonical SMILES for 2-hexylsulfanyl-N-(4-methoxy-6-propan-2-ylsulfanylpyrimidin-5-yl)decanamide is CCCCCCCCC(SCCCCCC)C(=O)Nc1c(OC)ncnc1SC(C)C.
What is the InChIKey of 2-hexylsulfanyl-N-(4-methoxy-6-propan-2-ylsulfanylpyrimidin-5-yl)decanamide?
The InChIKey is IYOMIBOEYSVLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N3O2S2/c1-6-8-10-12-13-14-16-20(30-17-15-11-9-7-2)22(28)27-21-23(29-5)25-18-26-24(21)31-19(3)4/h18-20H,6-17H2,1-5H3,(H,27,28).
What are the key properties of 2-hexylsulfanyl-N-(4-methoxy-6-propan-2-ylsulfanylpyrimidin-5-yl)decanamide?
2-hexylsulfanyl-N-(4-methoxy-6-propan-2-ylsulfanylpyrimidin-5-yl)decanamide has a molecular weight of 469.76 g/mol, XLogP of 7.36, 18 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexylsulfanyl-N-(4-methoxy-6-propan-2-ylsulfanylpyrimidin-5-yl)decanamide is sourced from PubChem (CID 67710039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).