N-(5-hydroxy-4-methylpentyl)-2-methylsulfanylbenzamide

C14H21NO2S — CID 103861423

IUPACN-(5-hydroxy-4-methylpentyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCCCC(C)CO
InChIInChI=1S/C14H21NO2S/c1-11(10-16)6-5-9-15-14(17)12-7-3-4-8-13(12)18-2/h3-4,7-8,11,16H,5-6,9-10H2,1-2H3,(H,15,17)
InChIKeyTVVUONGERBFGNK-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.55
Rot. Bonds7

About N-(5-hydroxy-4-methylpentyl)-2-methylsulfanylbenzamide

N-(5-hydroxy-4-methylpentyl)-2-methylsulfanylbenzamide (PubChem CID 103861423) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-(5-hydroxy-4-methylpentyl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(5-hydroxy-4-methylpentyl)-2-methylsulfanylbenzamide
PubChem CID103861423
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-(5-hydroxy-4-methylpentyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCCCC(C)CO
InChIInChI=1S/C14H21NO2S/c1-11(10-16)6-5-9-15-14(17)12-7-3-4-8-13(12)18-2/h3-4,7-8,11,16H,5-6,9-10H2,1-2H3,(H,15,17)
InChIKeyTVVUONGERBFGNK-UHFFFAOYSA-N
XLogP2.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.55
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

N-butyl-2-methylsulfanylbenzamide
CID 59510338
N-(5-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide
CID 103862006
N-(4-cyanobutyl)-2-methylsulfanylbenzamide
CID 78929278
N-(5-hydroxy-4-methylpentyl)-4-methylsulfanylbenzamide
CID 103861588
1-hydroxy-N-(5-hydroxy-4-methylpentyl)naphthalene-2-carboxamide
CID 103864730
2-(2-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 113340863
N-(2-methoxyethyl)-2-methylsulfanylbenzamide
CID 5090487
2-bromo-N-(5-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 103862151
N-(5-hydroxy-4-methylpentyl)-2-phenylacetamide
CID 103862364
2,6-dihydroxy-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103890698
4-fluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862038
5-chloro-N-(5-hydroxy-4-methylpentyl)-2-methylbenzamide
CID 103861766

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-4-methylpentyl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(5-hydroxy-4-methylpentyl)-2-methylsulfanylbenzamide (CID 103861423) is N-(5-hydroxy-4-methylpentyl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(5-hydroxy-4-methylpentyl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(5-hydroxy-4-methylpentyl)-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NCCCC(C)CO.
What is the InChIKey of N-(5-hydroxy-4-methylpentyl)-2-methylsulfanylbenzamide?
The InChIKey is TVVUONGERBFGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-11(10-16)6-5-9-15-14(17)12-7-3-4-8-13(12)18-2/h3-4,7-8,11,16H,5-6,9-10H2,1-2H3,(H,15,17).
What are the key properties of N-(5-hydroxy-4-methylpentyl)-2-methylsulfanylbenzamide?
N-(5-hydroxy-4-methylpentyl)-2-methylsulfanylbenzamide has a molecular weight of 267.39 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-4-methylpentyl)-2-methylsulfanylbenzamide is sourced from PubChem (CID 103861423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).