N-[(4-thiomorpholin-4-ylphenyl)methyl]octanamide

C19H30N2OS — CID 60521526

IUPACN-[(4-thiomorpholin-4-ylphenyl)methyl]octanamide
SMILESCCCCCCCC(=O)NCc1ccc(N2CCSCC2)cc1
InChIInChI=1S/C19H30N2OS/c1-2-3-4-5-6-7-19(22)20-16-17-8-10-18(11-9-17)21-12-14-23-15-13-21/h8-11H,2-7,12-16H2,1H3,(H,20,22)
InChIKeyFZHPRYDBTOLBAS-UHFFFAOYSA-N
MW334.53 g/mol
LogP4.22
Rot. Bonds9

About N-[(4-thiomorpholin-4-ylphenyl)methyl]octanamide

N-[(4-thiomorpholin-4-ylphenyl)methyl]octanamide (PubChem CID 60521526) has the molecular formula C19H30N2OS and a molecular weight of 334.53 g/mol. Its IUPAC name is N-[(4-thiomorpholin-4-ylphenyl)methyl]octanamide.

Molecular Properties

Compound NameN-[(4-thiomorpholin-4-ylphenyl)methyl]octanamide
PubChem CID60521526
Molecular FormulaC19H30N2OS
Molecular Weight334.53 g/mol
Exact Mass334.21
IUPAC NameN-[(4-thiomorpholin-4-ylphenyl)methyl]octanamide
SMILESCCCCCCCC(=O)NCc1ccc(N2CCSCC2)cc1
InChIInChI=1S/C19H30N2OS/c1-2-3-4-5-6-7-19(22)20-16-17-8-10-18(11-9-17)21-12-14-23-15-13-21/h8-11H,2-7,12-16H2,1H3,(H,20,22)
InChIKeyFZHPRYDBTOLBAS-UHFFFAOYSA-N
XLogP4.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]butanamide
CID 60521527
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
(4-thiomorpholin-4-ylphenyl)methylcarbamic acid
CID 66632617
tert-butyl N-[3-oxo-3-[(4-thiomorpholin-4-ylphenyl)methylamino]propyl]carbamate
CID 47059291
N-[(4-methylphenyl)methyl]heptanamide
CID 4159981
N-[(4-methylphenyl)methyl]hexadecanamide
CID 11111158
N-[(4-bromophenyl)methyl]octanamide
CID 60582799
N-[[4-(aminomethyl)phenyl]methyl]heptanamide
CID 114751908
N-[[4-(chloromethyl)phenyl]methyl]heptanamide
CID 107233492
N-benzylundecanamide
CID 5078198
2-(4-pyrrol-1-ylphenyl)-N-[(4-thiomorpholin-4-ylphenyl)methyl]acetamide
CID 55854175
3,3-diphenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]propanamide
CID 60521701

Frequently Asked Questions

What is the IUPAC name of N-[(4-thiomorpholin-4-ylphenyl)methyl]octanamide?
The IUPAC name of N-[(4-thiomorpholin-4-ylphenyl)methyl]octanamide (CID 60521526) is N-[(4-thiomorpholin-4-ylphenyl)methyl]octanamide.
What is the SMILES notation for N-[(4-thiomorpholin-4-ylphenyl)methyl]octanamide?
The canonical SMILES for N-[(4-thiomorpholin-4-ylphenyl)methyl]octanamide is CCCCCCCC(=O)NCc1ccc(N2CCSCC2)cc1.
What is the InChIKey of N-[(4-thiomorpholin-4-ylphenyl)methyl]octanamide?
The InChIKey is FZHPRYDBTOLBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2OS/c1-2-3-4-5-6-7-19(22)20-16-17-8-10-18(11-9-17)21-12-14-23-15-13-21/h8-11H,2-7,12-16H2,1H3,(H,20,22).
What are the key properties of N-[(4-thiomorpholin-4-ylphenyl)methyl]octanamide?
N-[(4-thiomorpholin-4-ylphenyl)methyl]octanamide has a molecular weight of 334.53 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-thiomorpholin-4-ylphenyl)methyl]octanamide is sourced from PubChem (CID 60521526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).