N-octan-2-yl-4-sulfanylbenzamide

C15H23NOS — CID 107025266

IUPACN-octan-2-yl-4-sulfanylbenzamide
SMILESCCCCCCC(C)NC(=O)c1ccc(S)cc1
InChIInChI=1S/C15H23NOS/c1-3-4-5-6-7-12(2)16-15(17)13-8-10-14(18)11-9-13/h8-12,18H,3-7H2,1-2H3,(H,16,17)
InChIKeyRCOCOKSQVZHBOH-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.06
Rot. Bonds7

About N-octan-2-yl-4-sulfanylbenzamide

N-octan-2-yl-4-sulfanylbenzamide (PubChem CID 107025266) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-octan-2-yl-4-sulfanylbenzamide.

Molecular Properties

Compound NameN-octan-2-yl-4-sulfanylbenzamide
PubChem CID107025266
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-octan-2-yl-4-sulfanylbenzamide
SMILESCCCCCCC(C)NC(=O)c1ccc(S)cc1
InChIInChI=1S/C15H23NOS/c1-3-4-5-6-7-12(2)16-15(17)13-8-10-14(18)11-9-13/h8-12,18H,3-7H2,1-2H3,(H,16,17)
InChIKeyRCOCOKSQVZHBOH-UHFFFAOYSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.06
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-(6-methylheptan-2-yl)-4-sulfanylbenzamide
CID 107025136
4-bromo-N-heptan-2-ylbenzamide
CID 3735409
4-(bromomethyl)-N-octan-2-ylbenzamide
CID 102851160
N-octan-2-yl-4-(propylamino)benzamide
CID 63500795
4-(aminomethyl)-N-heptan-2-ylbenzamide
CID 43575776
N-octan-4-yl-4-sulfanylbenzamide
CID 114138154
4-fluoro-N-hexan-2-ylbenzamide
CID 62199480
N-decyl-4-sulfanylbenzamide
CID 107032455
N-(4-amino-4-oxobutan-2-yl)-4-sulfanylbenzamide
CID 107035767
N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide
CID 107026940
N-octan-2-yl-1H-indole-5-carboxamide
CID 63716567
N-hexan-2-yl-2-(4-sulfanylphenyl)acetamide
CID 107028010

Frequently Asked Questions

What is the IUPAC name of N-octan-2-yl-4-sulfanylbenzamide?
The IUPAC name of N-octan-2-yl-4-sulfanylbenzamide (CID 107025266) is N-octan-2-yl-4-sulfanylbenzamide.
What is the SMILES notation for N-octan-2-yl-4-sulfanylbenzamide?
The canonical SMILES for N-octan-2-yl-4-sulfanylbenzamide is CCCCCCC(C)NC(=O)c1ccc(S)cc1.
What is the InChIKey of N-octan-2-yl-4-sulfanylbenzamide?
The InChIKey is RCOCOKSQVZHBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-3-4-5-6-7-12(2)16-15(17)13-8-10-14(18)11-9-13/h8-12,18H,3-7H2,1-2H3,(H,16,17).
What are the key properties of N-octan-2-yl-4-sulfanylbenzamide?
N-octan-2-yl-4-sulfanylbenzamide has a molecular weight of 265.42 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-2-yl-4-sulfanylbenzamide is sourced from PubChem (CID 107025266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).