N-octan-4-yl-4-sulfanylbenzamide

C15H23NOS — CID 114138154

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

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

N-octan-4-yl-4-sulfanylbenzamide (PubChem CID 114138154) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-octan-4-yl-4-sulfanylbenzamide.

Molecular Properties

Compound NameN-octan-4-yl-4-sulfanylbenzamide
PubChem CID114138154
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-octan-4-yl-4-sulfanylbenzamide
SMILESCCCCC(CCC)NC(=O)c1ccc(S)cc1
InChIInChI=1S/C15H23NOS/c1-3-5-7-13(6-4-2)16-15(17)12-8-10-14(18)11-9-12/h8-11,13,18H,3-7H2,1-2H3,(H,16,17)
InChIKeyABYUWDAPLXEONC-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': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-octan-4-yl-5-sulfanylbenzamide
CID 106023995
N-octan-2-yl-4-sulfanylbenzamide
CID 107025266
4-tert-butyl-N-heptan-4-ylbenzamide
CID 138525805
1-N,3-N,5-N-tri(heptan-4-yl)benzene-1,3,5-tricarboxamide
CID 70884493
4-(ethylamino)-3-methyl-N-octan-4-ylbenzamide
CID 106027950
N-octan-4-yl-1H-indole-6-carboxamide
CID 106025028
1-(4-acetylphenyl)-3-octan-4-ylurea
CID 106025098
3,5-difluoro-4-(methylamino)-N-octan-4-ylbenzamide
CID 106027843
N-(6-methylheptan-2-yl)-4-sulfanylbenzamide
CID 107025136
4-amino-N-hexan-3-ylbenzamide
CID 62094734
5-bromo-N-octan-4-ylthiophene-3-carboxamide
CID 106025537
N-decyl-4-sulfanylbenzamide
CID 107032455

Frequently Asked Questions

What is the IUPAC name of N-octan-4-yl-4-sulfanylbenzamide?
The IUPAC name of N-octan-4-yl-4-sulfanylbenzamide (CID 114138154) is N-octan-4-yl-4-sulfanylbenzamide.
What is the SMILES notation for N-octan-4-yl-4-sulfanylbenzamide?
The canonical SMILES for N-octan-4-yl-4-sulfanylbenzamide is CCCCC(CCC)NC(=O)c1ccc(S)cc1.
What is the InChIKey of N-octan-4-yl-4-sulfanylbenzamide?
The InChIKey is ABYUWDAPLXEONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-3-5-7-13(6-4-2)16-15(17)12-8-10-14(18)11-9-12/h8-11,13,18H,3-7H2,1-2H3,(H,16,17).
What are the key properties of N-octan-4-yl-4-sulfanylbenzamide?
N-octan-4-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-4-yl-4-sulfanylbenzamide is sourced from PubChem (CID 114138154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).