3,5-dihydroxy-N-(2-methylsulfanylcyclohexyl)benzamide

C14H19NO3S — CID 104939046

IUPAC3,5-dihydroxy-N-(2-methylsulfanylcyclohexyl)benzamide
SMILESCSC1CCCCC1NC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C14H19NO3S/c1-19-13-5-3-2-4-12(13)15-14(18)9-6-10(16)8-11(17)7-9/h6-8,12-13,16-17H,2-5H2,1H3,(H,15,18)
InChIKeyJSBUKNTZZDZHAD-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.50
Rot. Bonds3

About 3,5-dihydroxy-N-(2-methylsulfanylcyclohexyl)benzamide

3,5-dihydroxy-N-(2-methylsulfanylcyclohexyl)benzamide (PubChem CID 104939046) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 3,5-dihydroxy-N-(2-methylsulfanylcyclohexyl)benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-(2-methylsulfanylcyclohexyl)benzamide
PubChem CID104939046
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name3,5-dihydroxy-N-(2-methylsulfanylcyclohexyl)benzamide
SMILESCSC1CCCCC1NC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C14H19NO3S/c1-19-13-5-3-2-4-12(13)15-14(18)9-6-10(16)8-11(17)7-9/h6-8,12-13,16-17H,2-5H2,1H3,(H,15,18)
InChIKeyJSBUKNTZZDZHAD-UHFFFAOYSA-N
XLogP2.50
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylsulfanylcyclopentyl)-3,5-dihydroxybenzamide
CID 103892654
N-(2-methylsulfanylcyclohexyl)-4-sulfanylbenzamide
CID 114124428
3-[(2-methylsulfanylcyclohexyl)carbamoyl]benzoic acid
CID 103866458
3-hydroxy-4-iodo-N-(2-methylsulfanylcyclopentyl)benzamide
CID 104628956
4-(methoxymethyl)-N-[(1S,2S)-2-methylsulfanylcyclohexyl]benzamide
CID 97215389
N-(2-bromocycloheptyl)-3,5-dihydroxybenzamide
CID 107706124
4-fluoro-2-hydroxy-N-(2-methylsulfanylcyclohexyl)benzamide
CID 103888808
2-fluoro-6-hydroxy-N-(2-methylsulfanylcyclohexyl)benzamide
CID 104917753
N-[(1R,2R)-2-methylsulfanylcyclooctyl]acetamide
CID 131884719
2-chloro-N-(2-methylsulfanylcyclohexyl)furan-3-carboxamide
CID 106812109
2-[2-[(2-methylsulfanylcyclohexyl)amino]-2-oxoethyl]benzoic acid
CID 103932697
(E)-N-(2-methylsulfanylcyclohexyl)but-2-enamide
CID 103683381

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-(2-methylsulfanylcyclohexyl)benzamide?
The IUPAC name of 3,5-dihydroxy-N-(2-methylsulfanylcyclohexyl)benzamide (CID 104939046) is 3,5-dihydroxy-N-(2-methylsulfanylcyclohexyl)benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-(2-methylsulfanylcyclohexyl)benzamide?
The canonical SMILES for 3,5-dihydroxy-N-(2-methylsulfanylcyclohexyl)benzamide is CSC1CCCCC1NC(=O)c1cc(O)cc(O)c1.
What is the InChIKey of 3,5-dihydroxy-N-(2-methylsulfanylcyclohexyl)benzamide?
The InChIKey is JSBUKNTZZDZHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-19-13-5-3-2-4-12(13)15-14(18)9-6-10(16)8-11(17)7-9/h6-8,12-13,16-17H,2-5H2,1H3,(H,15,18).
What are the key properties of 3,5-dihydroxy-N-(2-methylsulfanylcyclohexyl)benzamide?
3,5-dihydroxy-N-(2-methylsulfanylcyclohexyl)benzamide has a molecular weight of 281.38 g/mol, XLogP of 2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-(2-methylsulfanylcyclohexyl)benzamide is sourced from PubChem (CID 104939046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).