4-ethylsulfanyl-N-(2-hydroxy-3-methylpentyl)benzamide

C15H23NO2S — CID 110000219

IUPAC4-ethylsulfanyl-N-(2-hydroxy-3-methylpentyl)benzamide
SMILESCCSc1ccc(C(=O)NCC(O)C(C)CC)cc1
InChIInChI=1S/C15H23NO2S/c1-4-11(3)14(17)10-16-15(18)12-6-8-13(9-7-12)19-5-2/h6-9,11,14,17H,4-5,10H2,1-3H3,(H,16,18)
InChIKeyNJKSRKULGCFFBH-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.94
Rot. Bonds7

About 4-ethylsulfanyl-N-(2-hydroxy-3-methylpentyl)benzamide

4-ethylsulfanyl-N-(2-hydroxy-3-methylpentyl)benzamide (PubChem CID 110000219) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 4-ethylsulfanyl-N-(2-hydroxy-3-methylpentyl)benzamide.

Molecular Properties

Compound Name4-ethylsulfanyl-N-(2-hydroxy-3-methylpentyl)benzamide
PubChem CID110000219
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name4-ethylsulfanyl-N-(2-hydroxy-3-methylpentyl)benzamide
SMILESCCSc1ccc(C(=O)NCC(O)C(C)CC)cc1
InChIInChI=1S/C15H23NO2S/c1-4-11(3)14(17)10-16-15(18)12-6-8-13(9-7-12)19-5-2/h6-9,11,14,17H,4-5,10H2,1-3H3,(H,16,18)
InChIKeyNJKSRKULGCFFBH-UHFFFAOYSA-N
XLogP2.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-3-methylpentyl)-4-(methoxymethyl)benzamide
CID 71969005
N-(3-amino-2,2-dimethylpropyl)-4-ethylsulfanylbenzamide
CID 115271024
4-ethylsulfanyl-N-(4-hydroxy-2-phenylbutyl)benzamide
CID 110000117
4-amino-N-(2-methylbutyl)benzamide
CID 22242294
1-(4-ethylsulfanylphenyl)-2-methylpropan-1-one
CID 82164906
5-amino-N-(2-hydroxy-3-methylpentyl)-2-methylbenzamide
CID 120632622
N-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylbenzamide
CID 103770174
4-benzylsulfanyl-N-(4-hydroxy-2-methylpentyl)benzamide
CID 111447030
4-ethylsulfanyl-N-(1-hydroxypentan-3-yl)benzamide
CID 110000332
methyl 4-[[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]carbamoyl]benzoate
CID 97416840
4-acetamido-N-(3-ethyl-2-hydroxypentyl)benzamide
CID 103658545
N-(3-amino-2-methylpropyl)-4-benzylsulfanylbenzamide;hydrochloride
CID 119995528

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-N-(2-hydroxy-3-methylpentyl)benzamide?
The IUPAC name of 4-ethylsulfanyl-N-(2-hydroxy-3-methylpentyl)benzamide (CID 110000219) is 4-ethylsulfanyl-N-(2-hydroxy-3-methylpentyl)benzamide.
What is the SMILES notation for 4-ethylsulfanyl-N-(2-hydroxy-3-methylpentyl)benzamide?
The canonical SMILES for 4-ethylsulfanyl-N-(2-hydroxy-3-methylpentyl)benzamide is CCSc1ccc(C(=O)NCC(O)C(C)CC)cc1.
What is the InChIKey of 4-ethylsulfanyl-N-(2-hydroxy-3-methylpentyl)benzamide?
The InChIKey is NJKSRKULGCFFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-4-11(3)14(17)10-16-15(18)12-6-8-13(9-7-12)19-5-2/h6-9,11,14,17H,4-5,10H2,1-3H3,(H,16,18).
What are the key properties of 4-ethylsulfanyl-N-(2-hydroxy-3-methylpentyl)benzamide?
4-ethylsulfanyl-N-(2-hydroxy-3-methylpentyl)benzamide has a molecular weight of 281.42 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-N-(2-hydroxy-3-methylpentyl)benzamide is sourced from PubChem (CID 110000219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).