2-(4-chlorophenyl)sulfanyl-N-(cyclooctylideneamino)acetamide

C16H21ClN2OS — CID 722531

IUPAC2-(4-chlorophenyl)sulfanyl-N-(cyclooctylideneamino)acetamide
SMILESO=C(CSc1ccc(Cl)cc1)NN=C1CCCCCCC1
InChIInChI=1S/C16H21ClN2OS/c17-13-8-10-15(11-9-13)21-12-16(20)19-18-14-6-4-2-1-3-5-7-14/h8-11H,1-7,12H2,(H,19,20)
InChIKeyHEGUBNDSSZHYJI-UHFFFAOYSA-N
MW324.88 g/mol
LogP4.65
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-N-(cyclooctylideneamino)acetamide

2-(4-chlorophenyl)sulfanyl-N-(cyclooctylideneamino)acetamide (PubChem CID 722531) has the molecular formula C16H21ClN2OS and a molecular weight of 324.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(cyclooctylideneamino)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(cyclooctylideneamino)acetamide
PubChem CID722531
Molecular FormulaC16H21ClN2OS
Molecular Weight324.88 g/mol
Exact Mass324.11
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(cyclooctylideneamino)acetamide
SMILESO=C(CSc1ccc(Cl)cc1)NN=C1CCCCCCC1
InChIInChI=1S/C16H21ClN2OS/c17-13-8-10-15(11-9-13)21-12-16(20)19-18-14-6-4-2-1-3-5-7-14/h8-11H,1-7,12H2,(H,19,20)
InChIKeyHEGUBNDSSZHYJI-UHFFFAOYSA-N
XLogP4.65
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 54.65
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-(cyclopentylideneamino)acetamide
CID 9121559
2-(4-chlorophenyl)-N-(cyclohexylideneamino)acetamide
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N-(cyclooctylideneamino)-3-(4-methylphenyl)sulfanylpropanamide
CID 126125374
N-(benzhydrylideneamino)-2-(4-chlorophenyl)sulfanylacetamide
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2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide
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2-(2-bromo-4-chloroanilino)-N-(cyclooctylideneamino)acetamide
CID 2843077
2-(4-chlorophenyl)sulfanyl-N-(heptan-4-ylideneamino)acetamide
CID 7241820
2-(4-chlorophenyl)sulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
CID 107846297
2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]acetamide
CID 126217149
2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 875637
2-(4-chlorophenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(cyclooctylideneamino)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(cyclooctylideneamino)acetamide (CID 722531) is 2-(4-chlorophenyl)sulfanyl-N-(cyclooctylideneamino)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(cyclooctylideneamino)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(cyclooctylideneamino)acetamide is O=C(CSc1ccc(Cl)cc1)NN=C1CCCCCCC1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(cyclooctylideneamino)acetamide?
The InChIKey is HEGUBNDSSZHYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2OS/c17-13-8-10-15(11-9-13)21-12-16(20)19-18-14-6-4-2-1-3-5-7-14/h8-11H,1-7,12H2,(H,19,20).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(cyclooctylideneamino)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(cyclooctylideneamino)acetamide has a molecular weight of 324.88 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(cyclooctylideneamino)acetamide is sourced from PubChem (CID 722531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).