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

C14H21NO2S — CID 103861588

IUPACN-(5-hydroxy-4-methylpentyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)NCCCC(C)CO)cc1
InChIInChI=1S/C14H21NO2S/c1-11(10-16)4-3-9-15-14(17)12-5-7-13(18-2)8-6-12/h5-8,11,16H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyDQMHDBKMKIBNHB-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.55
Rot. Bonds7

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

N-(5-hydroxy-4-methylpentyl)-4-methylsulfanylbenzamide (PubChem CID 103861588) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-(5-hydroxy-4-methylpentyl)-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(5-hydroxy-4-methylpentyl)-4-methylsulfanylbenzamide
PubChem CID103861588
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-(5-hydroxy-4-methylpentyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)NCCCC(C)CO)cc1
InChIInChI=1S/C14H21NO2S/c1-11(10-16)4-3-9-15-14(17)12-5-7-13(18-2)8-6-12/h5-8,11,16H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyDQMHDBKMKIBNHB-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

4-fluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862038
N-(4-chloropentyl)-4-methylsulfanylbenzamide
CID 106130096
4-bromo-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862163
4-(hydroxymethyl)-N-(5-hydroxy-4-methylpentyl)benzamide
CID 106155019
3,4-difluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861935
N-(3-aminobutyl)-4-methylsulfanylbenzamide
CID 54425720
N-(5-hydroxy-4-methylpentyl)-2-methylsulfanylbenzamide
CID 103861423
N-(5-bromopentyl)-4-methylsulfanylbenzamide
CID 107322033
3,4,5-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861735
4-bromo-3-hydroxy-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103874700
N-(5-hydroxy-4-methylpentyl)-2H-benzotriazole-5-carboxamide
CID 103861558
N-(5-hydroxy-4-methylpentyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 103861739

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-4-methylpentyl)-4-methylsulfanylbenzamide?
The IUPAC name of N-(5-hydroxy-4-methylpentyl)-4-methylsulfanylbenzamide (CID 103861588) is N-(5-hydroxy-4-methylpentyl)-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(5-hydroxy-4-methylpentyl)-4-methylsulfanylbenzamide?
The canonical SMILES for N-(5-hydroxy-4-methylpentyl)-4-methylsulfanylbenzamide is CSc1ccc(C(=O)NCCCC(C)CO)cc1.
What is the InChIKey of N-(5-hydroxy-4-methylpentyl)-4-methylsulfanylbenzamide?
The InChIKey is DQMHDBKMKIBNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-11(10-16)4-3-9-15-14(17)12-5-7-13(18-2)8-6-12/h5-8,11,16H,3-4,9-10H2,1-2H3,(H,15,17).
What are the key properties of N-(5-hydroxy-4-methylpentyl)-4-methylsulfanylbenzamide?
N-(5-hydroxy-4-methylpentyl)-4-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)-4-methylsulfanylbenzamide is sourced from PubChem (CID 103861588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).