5-(4-methoxyphenyl)-N-[(2R)-5-thiophen-3-ylpentan-2-yl]deca-2,4-dienamide

C26H35NO2S — CID 54039814

IUPAC5-(4-methoxyphenyl)-N-[(2R)-5-thiophen-3-ylpentan-2-yl]deca-2,4-dienamide
SMILESCCCCCC(=CC=CC(=O)N[C@H](C)CCCc1ccsc1)c1ccc(OC)cc1
InChIInChI=1S/C26H35NO2S/c1-4-5-6-11-23(24-14-16-25(29-3)17-15-24)12-8-13-26(28)27-21(2)9-7-10-22-18-19-30-20-22/h8,12-21H,4-7,9-11H2,1-3H3,(H,27,28)/t21-/m1/s1
InChIKeyLLNPWLJTOWMMNU-OAQYLSRUSA-N
MW425.64 g/mol
LogP6.80
Rot. Bonds13

About 5-(4-methoxyphenyl)-N-[(2R)-5-thiophen-3-ylpentan-2-yl]deca-2,4-dienamide

5-(4-methoxyphenyl)-N-[(2R)-5-thiophen-3-ylpentan-2-yl]deca-2,4-dienamide (PubChem CID 54039814) has the molecular formula C26H35NO2S and a molecular weight of 425.64 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[(2R)-5-thiophen-3-ylpentan-2-yl]deca-2,4-dienamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-[(2R)-5-thiophen-3-ylpentan-2-yl]deca-2,4-dienamide
PubChem CID54039814
Molecular FormulaC26H35NO2S
Molecular Weight425.64 g/mol
Exact Mass425.24
IUPAC Name5-(4-methoxyphenyl)-N-[(2R)-5-thiophen-3-ylpentan-2-yl]deca-2,4-dienamide
SMILESCCCCCC(=CC=CC(=O)N[C@H](C)CCCc1ccsc1)c1ccc(OC)cc1
InChIInChI=1S/C26H35NO2S/c1-4-5-6-11-23(24-14-16-25(29-3)17-15-24)12-8-13-26(28)27-21(2)9-7-10-22-18-19-30-20-22/h8,12-21H,4-7,9-11H2,1-3H3,(H,27,28)/t21-/m1/s1
InChIKeyLLNPWLJTOWMMNU-OAQYLSRUSA-N
XLogP6.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.64
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4Z)-5-(4-methoxyphenyl)deca-2,4-dienoic acid
CID 14347294
(2E,4E)-5-pyridin-3-yl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]undeca-2,4-dienamide
CID 22840709
5-(4-methoxyphenyl)deca-2,4-dienamide
CID 57201086
5-(4-methoxyphenyl)-5-phenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
CID 54386374
1-(4-butoxyphenyl)-3-thiophen-3-ylpropan-1-one
CID 105099876
(2E)-5,5-bis(3,4-dimethoxyphenyl)-N-[5-(furan-3-yl)pentan-2-yl]penta-2,4-dienamide
CID 22155315
(2E,4E)-5-(4-methoxyphenyl)-N-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]undeca-2,4-dienamide
CID 22155183
5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
CID 54263172
(2E,4E)-5-(3-methoxyphenyl)-4-methyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]undeca-2,4-dienamide
CID 22840644
4-methyl-1-thiophen-3-ylheptan-3-one
CID 114972135
(2Z,4E)-2-cyano-5-(4-methoxyphenyl)deca-2,4-dienoic acid
CID 139616599
N-[(2R)-5-pyridin-3-ylpentan-2-yl]-5,5-bis(3,4,5-trimethoxyphenyl)penta-2,4-dienamide
CID 54410484

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-[(2R)-5-thiophen-3-ylpentan-2-yl]deca-2,4-dienamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-[(2R)-5-thiophen-3-ylpentan-2-yl]deca-2,4-dienamide (CID 54039814) is 5-(4-methoxyphenyl)-N-[(2R)-5-thiophen-3-ylpentan-2-yl]deca-2,4-dienamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-[(2R)-5-thiophen-3-ylpentan-2-yl]deca-2,4-dienamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-[(2R)-5-thiophen-3-ylpentan-2-yl]deca-2,4-dienamide is CCCCCC(=CC=CC(=O)N[C@H](C)CCCc1ccsc1)c1ccc(OC)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-[(2R)-5-thiophen-3-ylpentan-2-yl]deca-2,4-dienamide?
The InChIKey is LLNPWLJTOWMMNU-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H35NO2S/c1-4-5-6-11-23(24-14-16-25(29-3)17-15-24)12-8-13-26(28)27-21(2)9-7-10-22-18-19-30-20-22/h8,12-21H,4-7,9-11H2,1-3H3,(H,27,28)/t21-/m1/s1.
What are the key properties of 5-(4-methoxyphenyl)-N-[(2R)-5-thiophen-3-ylpentan-2-yl]deca-2,4-dienamide?
5-(4-methoxyphenyl)-N-[(2R)-5-thiophen-3-ylpentan-2-yl]deca-2,4-dienamide has a molecular weight of 425.64 g/mol, XLogP of 6.80, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-[(2R)-5-thiophen-3-ylpentan-2-yl]deca-2,4-dienamide is sourced from PubChem (CID 54039814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).