N-cyclohexyl-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide

C16H23NO2S — CID 51891785

IUPACN-cyclohexyl-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide
SMILESCCN(C(=O)CSc1ccc(O)cc1)C1CCCCC1
InChIInChI=1S/C16H23NO2S/c1-2-17(13-6-4-3-5-7-13)16(19)12-20-15-10-8-14(18)9-11-15/h8-11,13,18H,2-7,12H2,1H3
InChIKeyLEKNFYQCNANLMG-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.67
Rot. Bonds5

About N-cyclohexyl-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide

N-cyclohexyl-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide (PubChem CID 51891785) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide
PubChem CID51891785
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC NameN-cyclohexyl-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide
SMILESCCN(C(=O)CSc1ccc(O)cc1)C1CCCCC1
InChIInChI=1S/C16H23NO2S/c1-2-17(13-6-4-3-5-7-13)16(19)12-20-15-10-8-14(18)9-11-15/h8-11,13,18H,2-7,12H2,1H3
InChIKeyLEKNFYQCNANLMG-UHFFFAOYSA-N
XLogP3.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide (CID 51891785) is N-cyclohexyl-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide is CCN(C(=O)CSc1ccc(O)cc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide?
The InChIKey is LEKNFYQCNANLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-2-17(13-6-4-3-5-7-13)16(19)12-20-15-10-8-14(18)9-11-15/h8-11,13,18H,2-7,12H2,1H3.
What are the key properties of N-cyclohexyl-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide?
N-cyclohexyl-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide has a molecular weight of 293.43 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide is sourced from PubChem (CID 51891785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).