N-phenyl-9-sulfanylnonanamide

C15H23NOS — CID 89127947

IUPACN-phenyl-9-sulfanylnonanamide
SMILESO=C(CCCCCCCCS)Nc1ccccc1
InChIInChI=1S/C15H23NOS/c17-15(16-14-10-6-5-7-11-14)12-8-3-1-2-4-9-13-18/h5-7,10-11,18H,1-4,8-9,12-13H2,(H,16,17)
InChIKeyPJMPRWPXTYAPNU-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.29
Rot. Bonds9

About N-phenyl-9-sulfanylnonanamide

N-phenyl-9-sulfanylnonanamide (PubChem CID 89127947) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-phenyl-9-sulfanylnonanamide.

Molecular Properties

Compound NameN-phenyl-9-sulfanylnonanamide
PubChem CID89127947
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-phenyl-9-sulfanylnonanamide
SMILESO=C(CCCCCCCCS)Nc1ccccc1
InChIInChI=1S/C15H23NOS/c17-15(16-14-10-6-5-7-11-14)12-8-3-1-2-4-9-13-18/h5-7,10-11,18H,1-4,8-9,12-13H2,(H,16,17)
InChIKeyPJMPRWPXTYAPNU-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-10-sulfanyldecanamide
CID 89127946
11-anilino-11-oxoundecanoic acid
CID 150341840
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
7-bromo-N-phenylheptanamide
CID 11266084
8-oxo-N-phenyloctanamide
CID 15739209
5-oxo-N-phenylheptadecanamide
CID 3308902
N-phenyl-5-[(2-sulfanylacetyl)amino]pentanamide
CID 11623126
6-formamido-N-phenylhexanamide
CID 156509815
6-oxo-N-phenylhexanamide
CID 19422082
7,7-dimethyl-N-phenyloctanamide
CID 68837139

Frequently Asked Questions

What is the IUPAC name of N-phenyl-9-sulfanylnonanamide?
The IUPAC name of N-phenyl-9-sulfanylnonanamide (CID 89127947) is N-phenyl-9-sulfanylnonanamide.
What is the SMILES notation for N-phenyl-9-sulfanylnonanamide?
The canonical SMILES for N-phenyl-9-sulfanylnonanamide is O=C(CCCCCCCCS)Nc1ccccc1.
What is the InChIKey of N-phenyl-9-sulfanylnonanamide?
The InChIKey is PJMPRWPXTYAPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c17-15(16-14-10-6-5-7-11-14)12-8-3-1-2-4-9-13-18/h5-7,10-11,18H,1-4,8-9,12-13H2,(H,16,17).
What are the key properties of N-phenyl-9-sulfanylnonanamide?
N-phenyl-9-sulfanylnonanamide has a molecular weight of 265.42 g/mol, XLogP of 4.29, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-9-sulfanylnonanamide is sourced from PubChem (CID 89127947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).