5-methoxy-N-(2-propan-2-ylsulfanylphenyl)pentanamide

C15H23NO2S — CID 71850921

IUPAC5-methoxy-N-(2-propan-2-ylsulfanylphenyl)pentanamide
SMILESCOCCCCC(=O)Nc1ccccc1SC(C)C
InChIInChI=1S/C15H23NO2S/c1-12(2)19-14-9-5-4-8-13(14)16-15(17)10-6-7-11-18-3/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,16,17)
InChIKeyOPHBVHKRKPEPCW-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.94
Rot. Bonds8

About 5-methoxy-N-(2-propan-2-ylsulfanylphenyl)pentanamide

5-methoxy-N-(2-propan-2-ylsulfanylphenyl)pentanamide (PubChem CID 71850921) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 5-methoxy-N-(2-propan-2-ylsulfanylphenyl)pentanamide.

Molecular Properties

Compound Name5-methoxy-N-(2-propan-2-ylsulfanylphenyl)pentanamide
PubChem CID71850921
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name5-methoxy-N-(2-propan-2-ylsulfanylphenyl)pentanamide
SMILESCOCCCCC(=O)Nc1ccccc1SC(C)C
InChIInChI=1S/C15H23NO2S/c1-12(2)19-14-9-5-4-8-13(14)16-15(17)10-6-7-11-18-3/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,16,17)
InChIKeyOPHBVHKRKPEPCW-UHFFFAOYSA-N
XLogP3.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-(2-propan-2-ylsulfanylphenyl)heptanamide
CID 119797982
3-amino-N-(2-propan-2-ylsulfanylphenyl)propanamide
CID 119331778
N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437
2-(methylamino)-N-(2-propan-2-ylsulfanylphenyl)acetamide;hydrochloride
CID 119797995
N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride
CID 119422032
N,N'-bis[2-(3-methoxypropylcarbamoyl)phenyl]hexanediamide
CID 17148582
5-hydroxy-N-(2-methylsulfanylphenyl)pentanamide
CID 79199002
N-[2-(difluoromethylsulfanyl)phenyl]-4-phenoxybutanamide
CID 112766444
N-(1H-indazol-7-yl)-5-methoxypentanamide
CID 86871615
6-amino-N-(2-methylsulfanylphenyl)hexanamide
CID 43702694
N-[2-(difluoromethylsulfanyl)phenyl]-4-(methylamino)butanamide
CID 60842031
N-(4-hydroxy-2-methylphenyl)-5-methoxypentanamide
CID 71990885

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(2-propan-2-ylsulfanylphenyl)pentanamide?
The IUPAC name of 5-methoxy-N-(2-propan-2-ylsulfanylphenyl)pentanamide (CID 71850921) is 5-methoxy-N-(2-propan-2-ylsulfanylphenyl)pentanamide.
What is the SMILES notation for 5-methoxy-N-(2-propan-2-ylsulfanylphenyl)pentanamide?
The canonical SMILES for 5-methoxy-N-(2-propan-2-ylsulfanylphenyl)pentanamide is COCCCCC(=O)Nc1ccccc1SC(C)C.
What is the InChIKey of 5-methoxy-N-(2-propan-2-ylsulfanylphenyl)pentanamide?
The InChIKey is OPHBVHKRKPEPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-12(2)19-14-9-5-4-8-13(14)16-15(17)10-6-7-11-18-3/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,16,17).
What are the key properties of 5-methoxy-N-(2-propan-2-ylsulfanylphenyl)pentanamide?
5-methoxy-N-(2-propan-2-ylsulfanylphenyl)pentanamide has a molecular weight of 281.42 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(2-propan-2-ylsulfanylphenyl)pentanamide is sourced from PubChem (CID 71850921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).