N-[naphthalen-1-yl(octylsulfanyl)methyl]benzamide

C26H31NOS — CID 3571903

IUPACN-[naphthalen-1-yl(octylsulfanyl)methyl]benzamide
SMILESCCCCCCCCSC(NC(=O)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C26H31NOS/c1-2-3-4-5-6-12-20-29-26(27-25(28)22-15-8-7-9-16-22)24-19-13-17-21-14-10-11-18-23(21)24/h7-11,13-19,26H,2-6,12,20H2,1H3,(H,27,28)
InChIKeyFEAMDEWIYCUTRZ-UHFFFAOYSA-N
MW405.61 g/mol
LogP7.36
Rot. Bonds11

About N-[naphthalen-1-yl(octylsulfanyl)methyl]benzamide

N-[naphthalen-1-yl(octylsulfanyl)methyl]benzamide (PubChem CID 3571903) has the molecular formula C26H31NOS and a molecular weight of 405.61 g/mol. Its IUPAC name is N-[naphthalen-1-yl(octylsulfanyl)methyl]benzamide.

Molecular Properties

Compound NameN-[naphthalen-1-yl(octylsulfanyl)methyl]benzamide
PubChem CID3571903
Molecular FormulaC26H31NOS
Molecular Weight405.61 g/mol
Exact Mass405.21
IUPAC NameN-[naphthalen-1-yl(octylsulfanyl)methyl]benzamide
SMILESCCCCCCCCSC(NC(=O)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C26H31NOS/c1-2-3-4-5-6-12-20-29-26(27-25(28)22-15-8-7-9-16-22)24-19-13-17-21-14-10-11-18-23(21)24/h7-11,13-19,26H,2-6,12,20H2,1H3,(H,27,28)
InChIKeyFEAMDEWIYCUTRZ-UHFFFAOYSA-N
XLogP7.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.61
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methylphenyl)sulfanyl-naphthalen-1-ylmethyl]benzamide
CID 154996169
diethyl 2-[benzamido(naphthalen-1-yl)methyl]propanedioate
CID 102169461
N-(1-chloropentyl)benzamide
CID 154358932
2-naphthalen-1-yldodecanoic acid
CID 23333439
N-(1-naphthalen-1-ylethyl)tetradecanamide
CID 86181225
5-naphthalen-1-ylheptadecan-2-one
CID 142778100
methyl 3-benzamido-4-methyl-2-naphthalen-1-ylpentanoate
CID 44890614
N,N'-bis[(1S)-2-hexyl-2-hydroxy-1-naphthalen-1-yloctyl]propanediamide
CID 67534057
2-naphthalen-1-ylhexanoyl chloride
CID 131880950
N-[(2S)-2-cyano-1-naphthalen-1-yl-2-phenylbutyl]benzamide
CID 44890546
N-[(1R)-1-naphthalen-1-ylnon-2-ynyl]acetamide
CID 11623711
N'-(4-hexadecoxybenzoyl)naphthalene-1-carbohydrazide
CID 162371332

Frequently Asked Questions

What is the IUPAC name of N-[naphthalen-1-yl(octylsulfanyl)methyl]benzamide?
The IUPAC name of N-[naphthalen-1-yl(octylsulfanyl)methyl]benzamide (CID 3571903) is N-[naphthalen-1-yl(octylsulfanyl)methyl]benzamide.
What is the SMILES notation for N-[naphthalen-1-yl(octylsulfanyl)methyl]benzamide?
The canonical SMILES for N-[naphthalen-1-yl(octylsulfanyl)methyl]benzamide is CCCCCCCCSC(NC(=O)c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of N-[naphthalen-1-yl(octylsulfanyl)methyl]benzamide?
The InChIKey is FEAMDEWIYCUTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NOS/c1-2-3-4-5-6-12-20-29-26(27-25(28)22-15-8-7-9-16-22)24-19-13-17-21-14-10-11-18-23(21)24/h7-11,13-19,26H,2-6,12,20H2,1H3,(H,27,28).
What are the key properties of N-[naphthalen-1-yl(octylsulfanyl)methyl]benzamide?
N-[naphthalen-1-yl(octylsulfanyl)methyl]benzamide has a molecular weight of 405.61 g/mol, XLogP of 7.36, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[naphthalen-1-yl(octylsulfanyl)methyl]benzamide is sourced from PubChem (CID 3571903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).