N-cyclooctyl-2-phenylsulfanylacetamide

C16H23NOS — CID 894989

IUPACN-cyclooctyl-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NC1CCCCCCC1
InChIInChI=1S/C16H23NOS/c18-16(13-19-15-11-7-4-8-12-15)17-14-9-5-2-1-3-6-10-14/h4,7-8,11-12,14H,1-3,5-6,9-10,13H2,(H,17,18)
InChIKeyAQZKEMHCWJXGNI-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.01
Rot. Bonds4

About N-cyclooctyl-2-phenylsulfanylacetamide

N-cyclooctyl-2-phenylsulfanylacetamide (PubChem CID 894989) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is N-cyclooctyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-phenylsulfanylacetamide
PubChem CID894989
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC NameN-cyclooctyl-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NC1CCCCCCC1
InChIInChI=1S/C16H23NOS/c18-16(13-19-15-11-7-4-8-12-15)17-14-9-5-2-1-3-6-10-14/h4,7-8,11-12,14H,1-3,5-6,9-10,13H2,(H,17,18)
InChIKeyAQZKEMHCWJXGNI-UHFFFAOYSA-N
XLogP4.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-phenylsulfanylacetamide?
The IUPAC name of N-cyclooctyl-2-phenylsulfanylacetamide (CID 894989) is N-cyclooctyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-cyclooctyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-cyclooctyl-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-2-phenylsulfanylacetamide?
The InChIKey is AQZKEMHCWJXGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c18-16(13-19-15-11-7-4-8-12-15)17-14-9-5-2-1-3-6-10-14/h4,7-8,11-12,14H,1-3,5-6,9-10,13H2,(H,17,18).
What are the key properties of N-cyclooctyl-2-phenylsulfanylacetamide?
N-cyclooctyl-2-phenylsulfanylacetamide has a molecular weight of 277.43 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 894989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).