5-(4-methoxyphenyl)-N-(3-methylsulfanylcyclohexyl)pentanamide

C19H29NO2S — CID 86966004

IUPAC5-(4-methoxyphenyl)-N-(3-methylsulfanylcyclohexyl)pentanamide
SMILESCOc1ccc(CCCCC(=O)NC2CCCC(SC)C2)cc1
InChIInChI=1S/C19H29NO2S/c1-22-17-12-10-15(11-13-17)6-3-4-9-19(21)20-16-7-5-8-18(14-16)23-2/h10-13,16,18H,3-9,14H2,1-2H3,(H,20,21)
InChIKeyZZISFHSTULMIBQ-UHFFFAOYSA-N
MW335.51 g/mol
LogP4.20
Rot. Bonds8

About 5-(4-methoxyphenyl)-N-(3-methylsulfanylcyclohexyl)pentanamide

5-(4-methoxyphenyl)-N-(3-methylsulfanylcyclohexyl)pentanamide (PubChem CID 86966004) has the molecular formula C19H29NO2S and a molecular weight of 335.51 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-(3-methylsulfanylcyclohexyl)pentanamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-(3-methylsulfanylcyclohexyl)pentanamide
PubChem CID86966004
Molecular FormulaC19H29NO2S
Molecular Weight335.51 g/mol
Exact Mass335.19
IUPAC Name5-(4-methoxyphenyl)-N-(3-methylsulfanylcyclohexyl)pentanamide
SMILESCOc1ccc(CCCCC(=O)NC2CCCC(SC)C2)cc1
InChIInChI=1S/C19H29NO2S/c1-22-17-12-10-15(11-13-17)6-3-4-9-19(21)20-16-7-5-8-18(14-16)23-2/h10-13,16,18H,3-9,14H2,1-2H3,(H,20,21)
InChIKeyZZISFHSTULMIBQ-UHFFFAOYSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.51
LogP ≤ 54.20
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

N-[2-(cyclohexylamino)-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide
CID 110305405
6-(4-methoxyphenyl)-N-piperidin-4-ylhexanamide
CID 119387370
N-(4-aminocyclohexyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119476012
4-(4-methoxyphenyl)-N-piperidin-4-ylbutanamide;hydrochloride
CID 119385919
4-(4-methoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119449629
N-(3-methylsulfanylcyclohexyl)-4-(propan-2-ylamino)butanamide
CID 114122906
5-(4-methoxyphenyl)pentanehydrazide
CID 59015987
N-formyl-5-(4-methoxyphenyl)pentanamide
CID 164557203
N-(4-chlorocyclohexyl)-3-(4-methoxyphenyl)propanamide
CID 114297242
(2S)-N-cyclohexyl-1-[5-(4-methoxyphenyl)pentanoyl]pyrrolidine-2-carboxamide
CID 110305780
N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methoxyphenyl)propanamide
CID 42342863
3-(4-methoxyphenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119388852

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-(3-methylsulfanylcyclohexyl)pentanamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-(3-methylsulfanylcyclohexyl)pentanamide (CID 86966004) is 5-(4-methoxyphenyl)-N-(3-methylsulfanylcyclohexyl)pentanamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-(3-methylsulfanylcyclohexyl)pentanamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-(3-methylsulfanylcyclohexyl)pentanamide is COc1ccc(CCCCC(=O)NC2CCCC(SC)C2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-(3-methylsulfanylcyclohexyl)pentanamide?
The InChIKey is ZZISFHSTULMIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2S/c1-22-17-12-10-15(11-13-17)6-3-4-9-19(21)20-16-7-5-8-18(14-16)23-2/h10-13,16,18H,3-9,14H2,1-2H3,(H,20,21).
What are the key properties of 5-(4-methoxyphenyl)-N-(3-methylsulfanylcyclohexyl)pentanamide?
5-(4-methoxyphenyl)-N-(3-methylsulfanylcyclohexyl)pentanamide has a molecular weight of 335.51 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-(3-methylsulfanylcyclohexyl)pentanamide is sourced from PubChem (CID 86966004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).