N-(2-hydroxycyclohexyl)-N-methyl-4-(methylsulfanylmethyl)benzamide

C16H23NO2S — CID 102634950

IUPACN-(2-hydroxycyclohexyl)-N-methyl-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)N(C)C2CCCCC2O)cc1
InChIInChI=1S/C16H23NO2S/c1-17(14-5-3-4-6-15(14)18)16(19)13-9-7-12(8-10-13)11-20-2/h7-10,14-15,18H,3-6,11H2,1-2H3
InChIKeyKQFIFFGLMNZJEN-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.93
Rot. Bonds4

About N-(2-hydroxycyclohexyl)-N-methyl-4-(methylsulfanylmethyl)benzamide

N-(2-hydroxycyclohexyl)-N-methyl-4-(methylsulfanylmethyl)benzamide (PubChem CID 102634950) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-N-methyl-4-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-N-methyl-4-(methylsulfanylmethyl)benzamide
PubChem CID102634950
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC NameN-(2-hydroxycyclohexyl)-N-methyl-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)N(C)C2CCCCC2O)cc1
InChIInChI=1S/C16H23NO2S/c1-17(14-5-3-4-6-15(14)18)16(19)13-9-7-12(8-10-13)11-20-2/h7-10,14-15,18H,3-6,11H2,1-2H3
InChIKeyKQFIFFGLMNZJEN-UHFFFAOYSA-N
XLogP2.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxycyclohexyl)-N-methyl-4-methylsulfanylbenzamide
CID 102634914
4-(2-aminoethyl)-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102631902
N-(2-hydroxycyclohexyl)-N-methyl-4-sulfanylbenzamide
CID 107036646
N-(2-hydroxycyclohexyl)-4-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
CID 102635822
N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-phenylbenzamide
CID 27245407
3,4-difluoro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102635266
N-[(1R,2R)-2-hydroxycyclohexyl]-4-(methanesulfonamido)-N-methylbenzamide
CID 19916348
N-[(1S,2S)-2-hydroxycyclohexyl]-3,4-dimethoxy-N-methylbenzamide
CID 27261505
2-(4-ethylphenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide
CID 95397472
5-bromo-N-(2-hydroxycyclohexyl)-N-methylfuran-2-carboxamide
CID 102632344
3-amino-4-chloro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102631175
N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-methylsulfanylbenzamide
CID 19798383

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-N-methyl-4-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-N-methyl-4-(methylsulfanylmethyl)benzamide (CID 102634950) is N-(2-hydroxycyclohexyl)-N-methyl-4-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-N-methyl-4-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-N-methyl-4-(methylsulfanylmethyl)benzamide is CSCc1ccc(C(=O)N(C)C2CCCCC2O)cc1.
What is the InChIKey of N-(2-hydroxycyclohexyl)-N-methyl-4-(methylsulfanylmethyl)benzamide?
The InChIKey is KQFIFFGLMNZJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-17(14-5-3-4-6-15(14)18)16(19)13-9-7-12(8-10-13)11-20-2/h7-10,14-15,18H,3-6,11H2,1-2H3.
What are the key properties of N-(2-hydroxycyclohexyl)-N-methyl-4-(methylsulfanylmethyl)benzamide?
N-(2-hydroxycyclohexyl)-N-methyl-4-(methylsulfanylmethyl)benzamide has a molecular weight of 293.43 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-N-methyl-4-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 102634950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).