N-(cyclooctylideneamino)-3-(4-methylphenyl)sulfanylpropanamide

C18H26N2OS — CID 126125374

IUPACN-(cyclooctylideneamino)-3-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)NN=C2CCCCCCC2)cc1
InChIInChI=1S/C18H26N2OS/c1-15-9-11-17(12-10-15)22-14-13-18(21)20-19-16-7-5-3-2-4-6-8-16/h9-12H,2-8,13-14H2,1H3,(H,20,21)
InChIKeyVQDBPUDHVGGIJI-UHFFFAOYSA-N
MW318.49 g/mol
LogP4.69
Rot. Bonds5

About N-(cyclooctylideneamino)-3-(4-methylphenyl)sulfanylpropanamide

N-(cyclooctylideneamino)-3-(4-methylphenyl)sulfanylpropanamide (PubChem CID 126125374) has the molecular formula C18H26N2OS and a molecular weight of 318.49 g/mol. Its IUPAC name is N-(cyclooctylideneamino)-3-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(cyclooctylideneamino)-3-(4-methylphenyl)sulfanylpropanamide
PubChem CID126125374
Molecular FormulaC18H26N2OS
Molecular Weight318.49 g/mol
Exact Mass318.18
IUPAC NameN-(cyclooctylideneamino)-3-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)NN=C2CCCCCCC2)cc1
InChIInChI=1S/C18H26N2OS/c1-15-9-11-17(12-10-15)22-14-13-18(21)20-19-16-7-5-3-2-4-6-8-16/h9-12H,2-8,13-14H2,1H3,(H,20,21)
InChIKeyVQDBPUDHVGGIJI-UHFFFAOYSA-N
XLogP4.69
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-(cyclooctylideneamino)acetamide
CID 722531
2-(4-chlorophenyl)sulfanyl-N-(cyclopentylideneamino)acetamide
CID 9121559
N-(cyclooctylideneamino)-2-(4-methylphenoxy)acetamide
CID 54786886
N-ethyl-3-(4-methylphenyl)sulfanylpropanamide
CID 962016
N-(cyclohexylideneamino)-3-methoxypropanamide
CID 123501160
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(4-methylphenyl)sulfanylpropanamide
CID 107847155
N-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 23861664
N-(cycloheptylideneamino)pentanamide
CID 3533607
N-cyano-3-(4-methylphenyl)sulfanylpropanamide
CID 79194035
3-(4-methylphenyl)sulfanyl-N-(pyridin-4-ylmethylideneamino)propanamide
CID 2531077
N-[(Z)-(4-bromophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide
CID 126135356
N-(4-acetamidophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 23889516

Frequently Asked Questions

What is the IUPAC name of N-(cyclooctylideneamino)-3-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-(cyclooctylideneamino)-3-(4-methylphenyl)sulfanylpropanamide (CID 126125374) is N-(cyclooctylideneamino)-3-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(cyclooctylideneamino)-3-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-(cyclooctylideneamino)-3-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(SCCC(=O)NN=C2CCCCCCC2)cc1.
What is the InChIKey of N-(cyclooctylideneamino)-3-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is VQDBPUDHVGGIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2OS/c1-15-9-11-17(12-10-15)22-14-13-18(21)20-19-16-7-5-3-2-4-6-8-16/h9-12H,2-8,13-14H2,1H3,(H,20,21).
What are the key properties of N-(cyclooctylideneamino)-3-(4-methylphenyl)sulfanylpropanamide?
N-(cyclooctylideneamino)-3-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 318.49 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclooctylideneamino)-3-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 126125374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).