N-cyclohexyl-2-(3-hydroxyphenyl)sulfanyl-N-methylacetamide

C15H21NO2S — CID 104590798

IUPACN-cyclohexyl-2-(3-hydroxyphenyl)sulfanyl-N-methylacetamide
SMILESCN(C(=O)CSc1cccc(O)c1)C1CCCCC1
InChIInChI=1S/C15H21NO2S/c1-16(12-6-3-2-4-7-12)15(18)11-19-14-9-5-8-13(17)10-14/h5,8-10,12,17H,2-4,6-7,11H2,1H3
InChIKeyZKXIXIMCNQRZST-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.28
Rot. Bonds4

About N-cyclohexyl-2-(3-hydroxyphenyl)sulfanyl-N-methylacetamide

N-cyclohexyl-2-(3-hydroxyphenyl)sulfanyl-N-methylacetamide (PubChem CID 104590798) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-hydroxyphenyl)sulfanyl-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-hydroxyphenyl)sulfanyl-N-methylacetamide
PubChem CID104590798
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC NameN-cyclohexyl-2-(3-hydroxyphenyl)sulfanyl-N-methylacetamide
SMILESCN(C(=O)CSc1cccc(O)c1)C1CCCCC1
InChIInChI=1S/C15H21NO2S/c1-16(12-6-3-2-4-7-12)15(18)11-19-14-9-5-8-13(17)10-14/h5,8-10,12,17H,2-4,6-7,11H2,1H3
InChIKeyZKXIXIMCNQRZST-UHFFFAOYSA-N
XLogP3.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(3-formylphenyl)sulfanyl-N-methylacetamide
CID 66354915
2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide
CID 79140728
2-(4-tert-butylphenyl)sulfanyl-N-cyclohexyl-N-methylacetamide
CID 4001346
N-cyclopropyl-2-[[2-(3-hydroxyphenyl)sulfanylacetyl]-methylamino]acetamide
CID 104590665
2-(3-hydroxyphenyl)sulfanyl-N-methyl-N-phenylacetamide
CID 104590375
2-(3-aminophenyl)sulfanyl-N,N-dicyclohexylacetamide
CID 18894930
2-(3-methoxyphenyl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide
CID 119444007
N-cyclopropyl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanyl-N-methylacetamide
CID 64665708
N-methyl-2-phenylsulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442580
N-cyclopentyl-3-hydroxy-N-methylbenzamide
CID 43243153
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-(3-methylphenyl)sulfanylacetamide
CID 94214701
N-cyclohexyl-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide
CID 51891785

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3-hydroxyphenyl)sulfanyl-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-(3-hydroxyphenyl)sulfanyl-N-methylacetamide (CID 104590798) is N-cyclohexyl-2-(3-hydroxyphenyl)sulfanyl-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(3-hydroxyphenyl)sulfanyl-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-(3-hydroxyphenyl)sulfanyl-N-methylacetamide is CN(C(=O)CSc1cccc(O)c1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(3-hydroxyphenyl)sulfanyl-N-methylacetamide?
The InChIKey is ZKXIXIMCNQRZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-16(12-6-3-2-4-7-12)15(18)11-19-14-9-5-8-13(17)10-14/h5,8-10,12,17H,2-4,6-7,11H2,1H3.
What are the key properties of N-cyclohexyl-2-(3-hydroxyphenyl)sulfanyl-N-methylacetamide?
N-cyclohexyl-2-(3-hydroxyphenyl)sulfanyl-N-methylacetamide has a molecular weight of 279.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3-hydroxyphenyl)sulfanyl-N-methylacetamide is sourced from PubChem (CID 104590798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).