N-phenyl-10-sulfanyldecanamide

C16H25NOS — CID 89127946

IUPACN-phenyl-10-sulfanyldecanamide
SMILESO=C(CCCCCCCCCS)Nc1ccccc1
InChIInChI=1S/C16H25NOS/c18-16(17-15-11-7-6-8-12-15)13-9-4-2-1-3-5-10-14-19/h6-8,11-12,19H,1-5,9-10,13-14H2,(H,17,18)
InChIKeyVAHHWNFPWHHTEQ-UHFFFAOYSA-N
MW279.45 g/mol
LogP4.68
Rot. Bonds10

About N-phenyl-10-sulfanyldecanamide

N-phenyl-10-sulfanyldecanamide (PubChem CID 89127946) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is N-phenyl-10-sulfanyldecanamide.

Molecular Properties

Compound NameN-phenyl-10-sulfanyldecanamide
PubChem CID89127946
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC NameN-phenyl-10-sulfanyldecanamide
SMILESO=C(CCCCCCCCCS)Nc1ccccc1
InChIInChI=1S/C16H25NOS/c18-16(17-15-11-7-6-8-12-15)13-9-4-2-1-3-5-10-14-19/h6-8,11-12,19H,1-5,9-10,13-14H2,(H,17,18)
InChIKeyVAHHWNFPWHHTEQ-UHFFFAOYSA-N
XLogP4.68
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 54.68
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-9-sulfanylnonanamide
CID 89127947
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-10-sulfanyldecanamide?
The IUPAC name of N-phenyl-10-sulfanyldecanamide (CID 89127946) is N-phenyl-10-sulfanyldecanamide.
What is the SMILES notation for N-phenyl-10-sulfanyldecanamide?
The canonical SMILES for N-phenyl-10-sulfanyldecanamide is O=C(CCCCCCCCCS)Nc1ccccc1.
What is the InChIKey of N-phenyl-10-sulfanyldecanamide?
The InChIKey is VAHHWNFPWHHTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c18-16(17-15-11-7-6-8-12-15)13-9-4-2-1-3-5-10-14-19/h6-8,11-12,19H,1-5,9-10,13-14H2,(H,17,18).
What are the key properties of N-phenyl-10-sulfanyldecanamide?
N-phenyl-10-sulfanyldecanamide has a molecular weight of 279.45 g/mol, XLogP of 4.68, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-10-sulfanyldecanamide is sourced from PubChem (CID 89127946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).