2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-N-(1-phenylethylsulfonyl)acetamide

C20H31NO4S — CID 167875838

IUPAC2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-N-(1-phenylethylsulfonyl)acetamide
SMILESCC1CCC(C(C)C)C(OCC(=O)NS(=O)(=O)C(C)c2ccccc2)C1
InChIInChI=1S/C20H31NO4S/c1-14(2)18-11-10-15(3)12-19(18)25-13-20(22)21-26(23,24)16(4)17-8-6-5-7-9-17/h5-9,14-16,18-19H,10-13H2,1-4H3,(H,21,22)
InChIKeyHRNGDXLVAAVUJP-UHFFFAOYSA-N
MW381.54 g/mol
LogP3.67
Rot. Bonds7

About 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-N-(1-phenylethylsulfonyl)acetamide

2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-N-(1-phenylethylsulfonyl)acetamide (PubChem CID 167875838) has the molecular formula C20H31NO4S and a molecular weight of 381.54 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-N-(1-phenylethylsulfonyl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-N-(1-phenylethylsulfonyl)acetamide
PubChem CID167875838
Molecular FormulaC20H31NO4S
Molecular Weight381.54 g/mol
Exact Mass381.20
IUPAC Name2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-N-(1-phenylethylsulfonyl)acetamide
SMILESCC1CCC(C(C)C)C(OCC(=O)NS(=O)(=O)C(C)c2ccccc2)C1
InChIInChI=1S/C20H31NO4S/c1-14(2)18-11-10-15(3)12-19(18)25-13-20(22)21-26(23,24)16(4)17-8-6-5-7-9-17/h5-9,14-16,18-19H,10-13H2,1-4H3,(H,21,22)
InChIKeyHRNGDXLVAAVUJP-UHFFFAOYSA-N
XLogP3.67
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-phenylethanone
CID 43798246
N-[2-(benzylsulfonylamino)ethyl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide
CID 47029916
N-(3,4-dimethylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide
CID 166181611
1-(2-chlorophenyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone
CID 43798255
2-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetic acid
CID 25277154
(2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoic acid
CID 119943112
(5-methyl-2-propan-2-ylcyclohexyl) 2-[[(1S)-1-phenylethyl]amino]acetate
CID 70259462
N-methyl-4-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]benzamide
CID 51671329
N-ethyl-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]benzamide
CID 166206981
2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
CID 68536872
2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl chloride
CID 12543931
[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] (3R)-3-phenylbutanoate
CID 7053819

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-N-(1-phenylethylsulfonyl)acetamide?
The IUPAC name of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-N-(1-phenylethylsulfonyl)acetamide (CID 167875838) is 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-N-(1-phenylethylsulfonyl)acetamide.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-N-(1-phenylethylsulfonyl)acetamide?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-N-(1-phenylethylsulfonyl)acetamide is CC1CCC(C(C)C)C(OCC(=O)NS(=O)(=O)C(C)c2ccccc2)C1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-N-(1-phenylethylsulfonyl)acetamide?
The InChIKey is HRNGDXLVAAVUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO4S/c1-14(2)18-11-10-15(3)12-19(18)25-13-20(22)21-26(23,24)16(4)17-8-6-5-7-9-17/h5-9,14-16,18-19H,10-13H2,1-4H3,(H,21,22).
What are the key properties of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-N-(1-phenylethylsulfonyl)acetamide?
2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-N-(1-phenylethylsulfonyl)acetamide has a molecular weight of 381.54 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-N-(1-phenylethylsulfonyl)acetamide is sourced from PubChem (CID 167875838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).