N-[4-(2-cyclohexyl-2-oxoethyl)sulfanylphenyl]acetamide

C16H21NO2S — CID 47138243

IUPACN-[4-(2-cyclohexyl-2-oxoethyl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)C2CCCCC2)cc1
InChIInChI=1S/C16H21NO2S/c1-12(18)17-14-7-9-15(10-8-14)20-11-16(19)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,17,18)
InChIKeyNOYDSNBBASXPGR-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.89
Rot. Bonds5

About N-[4-(2-cyclohexyl-2-oxoethyl)sulfanylphenyl]acetamide

N-[4-(2-cyclohexyl-2-oxoethyl)sulfanylphenyl]acetamide (PubChem CID 47138243) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[4-(2-cyclohexyl-2-oxoethyl)sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-cyclohexyl-2-oxoethyl)sulfanylphenyl]acetamide
PubChem CID47138243
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC NameN-[4-(2-cyclohexyl-2-oxoethyl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)C2CCCCC2)cc1
InChIInChI=1S/C16H21NO2S/c1-12(18)17-14-7-9-15(10-8-14)20-11-16(19)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,17,18)
InChIKeyNOYDSNBBASXPGR-UHFFFAOYSA-N
XLogP3.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyclohexyl-2-oxoethyl)sulfanylphenyl]acetamide?
The IUPAC name of N-[4-(2-cyclohexyl-2-oxoethyl)sulfanylphenyl]acetamide (CID 47138243) is N-[4-(2-cyclohexyl-2-oxoethyl)sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-(2-cyclohexyl-2-oxoethyl)sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-(2-cyclohexyl-2-oxoethyl)sulfanylphenyl]acetamide is CC(=O)Nc1ccc(SCC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[4-(2-cyclohexyl-2-oxoethyl)sulfanylphenyl]acetamide?
The InChIKey is NOYDSNBBASXPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-12(18)17-14-7-9-15(10-8-14)20-11-16(19)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,17,18).
What are the key properties of N-[4-(2-cyclohexyl-2-oxoethyl)sulfanylphenyl]acetamide?
N-[4-(2-cyclohexyl-2-oxoethyl)sulfanylphenyl]acetamide has a molecular weight of 291.42 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-cyclohexyl-2-oxoethyl)sulfanylphenyl]acetamide is sourced from PubChem (CID 47138243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).