4-ethylsulfanyl-N-(1-hydroxypentan-3-yl)benzamide

C14H21NO2S — CID 110000332

IUPAC4-ethylsulfanyl-N-(1-hydroxypentan-3-yl)benzamide
SMILESCCSc1ccc(C(=O)NC(CC)CCO)cc1
InChIInChI=1S/C14H21NO2S/c1-3-12(9-10-16)15-14(17)11-5-7-13(8-6-11)18-4-2/h5-8,12,16H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyKFNZZAVTGJFBRC-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.69
Rot. Bonds7

About 4-ethylsulfanyl-N-(1-hydroxypentan-3-yl)benzamide

4-ethylsulfanyl-N-(1-hydroxypentan-3-yl)benzamide (PubChem CID 110000332) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 4-ethylsulfanyl-N-(1-hydroxypentan-3-yl)benzamide.

Molecular Properties

Compound Name4-ethylsulfanyl-N-(1-hydroxypentan-3-yl)benzamide
PubChem CID110000332
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name4-ethylsulfanyl-N-(1-hydroxypentan-3-yl)benzamide
SMILESCCSc1ccc(C(=O)NC(CC)CCO)cc1
InChIInChI=1S/C14H21NO2S/c1-3-12(9-10-16)15-14(17)11-5-7-13(8-6-11)18-4-2/h5-8,12,16H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyKFNZZAVTGJFBRC-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2,2-dimethylpropyl)-4-N-(1-hydroxypentan-3-yl)benzene-1,4-dicarboxamide
CID 109479295
N-(1-hydroxypentan-3-yl)-4-propoxybenzamide
CID 115767380
N-(1-hydroxypentan-3-yl)-4-(propan-2-yloxymethyl)benzamide
CID 115767414
4-ethylsulfanyl-N-(4-hydroxy-2-phenylbutyl)benzamide
CID 110000117
N-(1-hydroxypentan-3-yl)-2-methylquinoline-6-carboxamide
CID 109479102
N-(1-hydroxypentan-3-yl)-6-methoxypyridine-3-carboxamide
CID 115767344
4-amino-N-hexan-3-ylbenzamide
CID 62094734
N-[(2S)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
CID 93032259
N-(4-hydroxybutan-2-yl)-4-methylsulfanylbenzamide
CID 81043332
N-[(2R)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
CID 93032260
1-(4-ethylsulfanylphenyl)-2-methylpropan-1-one
CID 82164906
3-fluoro-N-(1-hydroxypentan-3-yl)-4-methoxybenzamide
CID 109478916

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-N-(1-hydroxypentan-3-yl)benzamide?
The IUPAC name of 4-ethylsulfanyl-N-(1-hydroxypentan-3-yl)benzamide (CID 110000332) is 4-ethylsulfanyl-N-(1-hydroxypentan-3-yl)benzamide.
What is the SMILES notation for 4-ethylsulfanyl-N-(1-hydroxypentan-3-yl)benzamide?
The canonical SMILES for 4-ethylsulfanyl-N-(1-hydroxypentan-3-yl)benzamide is CCSc1ccc(C(=O)NC(CC)CCO)cc1.
What is the InChIKey of 4-ethylsulfanyl-N-(1-hydroxypentan-3-yl)benzamide?
The InChIKey is KFNZZAVTGJFBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-3-12(9-10-16)15-14(17)11-5-7-13(8-6-11)18-4-2/h5-8,12,16H,3-4,9-10H2,1-2H3,(H,15,17).
What are the key properties of 4-ethylsulfanyl-N-(1-hydroxypentan-3-yl)benzamide?
4-ethylsulfanyl-N-(1-hydroxypentan-3-yl)benzamide has a molecular weight of 267.39 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-N-(1-hydroxypentan-3-yl)benzamide is sourced from PubChem (CID 110000332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).