N-(2-ethylsulfonylethyl)-2-(4-phenylcyclohexyl)acetamide

C18H27NO3S — CID 75407157

IUPACN-(2-ethylsulfonylethyl)-2-(4-phenylcyclohexyl)acetamide
SMILESCCS(=O)(=O)CCNC(=O)CC1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H27NO3S/c1-2-23(21,22)13-12-19-18(20)14-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-7,15,17H,2,8-14H2,1H3,(H,19,20)
InChIKeyJFBBMVRICUEPKP-UHFFFAOYSA-N
MW337.49 g/mol
LogP2.90
Rot. Bonds7

About N-(2-ethylsulfonylethyl)-2-(4-phenylcyclohexyl)acetamide

N-(2-ethylsulfonylethyl)-2-(4-phenylcyclohexyl)acetamide (PubChem CID 75407157) has the molecular formula C18H27NO3S and a molecular weight of 337.49 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-2-(4-phenylcyclohexyl)acetamide.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-2-(4-phenylcyclohexyl)acetamide
PubChem CID75407157
Molecular FormulaC18H27NO3S
Molecular Weight337.49 g/mol
Exact Mass337.17
IUPAC NameN-(2-ethylsulfonylethyl)-2-(4-phenylcyclohexyl)acetamide
SMILESCCS(=O)(=O)CCNC(=O)CC1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H27NO3S/c1-2-23(21,22)13-12-19-18(20)14-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-7,15,17H,2,8-14H2,1H3,(H,19,20)
InChIKeyJFBBMVRICUEPKP-UHFFFAOYSA-N
XLogP2.90
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-2-(4-phenylcyclohexyl)acetamide
CID 119407911
4-[[2-(4-phenylcyclohexyl)acetyl]amino]butanoic acid
CID 119170948
2-methyl-3-[[2-(4-phenylcyclohexyl)acetyl]amino]propanoic acid
CID 119237415
N-[2-(4-aminophenyl)ethyl]-2-(4-phenylcyclohexyl)acetamide
CID 119549120
5-[[[2-(4-phenylcyclohexyl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 119246162
ethane;2-(4-phenylcyclohexyl)-N-(4-phenylphenyl)acetamide
CID 145078209
N-[4-(hydroxymethyl)phenyl]-2-(4-phenylcyclohexyl)acetamide
CID 121325134
2-(4-phenylcyclohexyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119453044
4-[(4-phenylcyclohexyl)methylamino]butanoic acid
CID 122035940
N-(2,3-difluorophenyl)-2-(4-phenylcyclohexyl)acetamide
CID 174866386
2-(4-phenylpiperidin-1-yl)-N-propylacetamide
CID 134001849
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-phenylcyclohexyl)acetamide
CID 111661382

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-2-(4-phenylcyclohexyl)acetamide?
The IUPAC name of N-(2-ethylsulfonylethyl)-2-(4-phenylcyclohexyl)acetamide (CID 75407157) is N-(2-ethylsulfonylethyl)-2-(4-phenylcyclohexyl)acetamide.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-2-(4-phenylcyclohexyl)acetamide?
The canonical SMILES for N-(2-ethylsulfonylethyl)-2-(4-phenylcyclohexyl)acetamide is CCS(=O)(=O)CCNC(=O)CC1CCC(c2ccccc2)CC1.
What is the InChIKey of N-(2-ethylsulfonylethyl)-2-(4-phenylcyclohexyl)acetamide?
The InChIKey is JFBBMVRICUEPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3S/c1-2-23(21,22)13-12-19-18(20)14-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-7,15,17H,2,8-14H2,1H3,(H,19,20).
What are the key properties of N-(2-ethylsulfonylethyl)-2-(4-phenylcyclohexyl)acetamide?
N-(2-ethylsulfonylethyl)-2-(4-phenylcyclohexyl)acetamide has a molecular weight of 337.49 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-2-(4-phenylcyclohexyl)acetamide is sourced from PubChem (CID 75407157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).