N-(6-hydroxyhexyl)-4-(methylsulfanylmethyl)benzamide

C15H23NO2S — CID 103919178

IUPACN-(6-hydroxyhexyl)-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)NCCCCCCO)cc1
InChIInChI=1S/C15H23NO2S/c1-19-12-13-6-8-14(9-7-13)15(18)16-10-4-2-3-5-11-17/h6-9,17H,2-5,10-12H2,1H3,(H,16,18)
InChIKeyPZOKSIDXBIYMOS-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.83
Rot. Bonds9

About N-(6-hydroxyhexyl)-4-(methylsulfanylmethyl)benzamide

N-(6-hydroxyhexyl)-4-(methylsulfanylmethyl)benzamide (PubChem CID 103919178) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)-4-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)-4-(methylsulfanylmethyl)benzamide
PubChem CID103919178
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-(6-hydroxyhexyl)-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)NCCCCCCO)cc1
InChIInChI=1S/C15H23NO2S/c1-19-12-13-6-8-14(9-7-13)15(18)16-10-4-2-3-5-11-17/h6-9,17H,2-5,10-12H2,1H3,(H,16,18)
InChIKeyPZOKSIDXBIYMOS-UHFFFAOYSA-N
XLogP2.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[4-(methylsulfanylmethyl)benzoyl]amino]pentanoic acid
CID 62033572
4-[[4-(methylsulfanylmethyl)benzoyl]amino]butanoic acid
CID 43239271
4-chloro-N-(5-hydroxypentyl)benzamide
CID 107318437
4-fluoro-N-(5-hydroxypentyl)benzamide
CID 107317186
N-(3-hydroxy-2-methylpropyl)-4-(methylsulfanylmethyl)benzamide
CID 65031383
N-benzyl-4-(methylsulfanylmethyl)benzamide
CID 2542193
N-(3-hydroxypropyl)-4-(2-methylpropyl)benzamide
CID 98014815
4-[(dimethylamino)methyl]-N-(3-hydroxypropyl)benzamide
CID 43500357
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(methylsulfanylmethyl)benzamide
CID 30881756
4-iodo-N-(5-methylsulfanylpentyl)benzamide
CID 104920149
4-(diethylamino)-N-(4-hydroxybutyl)benzamide
CID 106843290
N-[3-(furan-2-ylmethoxy)propyl]-4-(methylsulfanylmethyl)benzamide
CID 86914792

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexyl)-4-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-(6-hydroxyhexyl)-4-(methylsulfanylmethyl)benzamide (CID 103919178) is N-(6-hydroxyhexyl)-4-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(6-hydroxyhexyl)-4-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-(6-hydroxyhexyl)-4-(methylsulfanylmethyl)benzamide is CSCc1ccc(C(=O)NCCCCCCO)cc1.
What is the InChIKey of N-(6-hydroxyhexyl)-4-(methylsulfanylmethyl)benzamide?
The InChIKey is PZOKSIDXBIYMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-19-12-13-6-8-14(9-7-13)15(18)16-10-4-2-3-5-11-17/h6-9,17H,2-5,10-12H2,1H3,(H,16,18).
What are the key properties of N-(6-hydroxyhexyl)-4-(methylsulfanylmethyl)benzamide?
N-(6-hydroxyhexyl)-4-(methylsulfanylmethyl)benzamide has a molecular weight of 281.42 g/mol, XLogP of 2.83, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)-4-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 103919178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).