N-(4-cyclohexylphenyl)-2-(4-ethylsulfonylphenyl)acetamide

C22H27NO3S — CID 118395803

IUPACN-(4-cyclohexylphenyl)-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C22H27NO3S/c1-2-27(25,26)21-14-8-17(9-15-21)16-22(24)23-20-12-10-19(11-13-20)18-6-4-3-5-7-18/h8-15,18H,2-7,16H2,1H3,(H,23,24)
InChIKeyYGUHUCCACPAMEW-UHFFFAOYSA-N
MW385.53 g/mol
LogP4.71
Rot. Bonds6

About N-(4-cyclohexylphenyl)-2-(4-ethylsulfonylphenyl)acetamide

N-(4-cyclohexylphenyl)-2-(4-ethylsulfonylphenyl)acetamide (PubChem CID 118395803) has the molecular formula C22H27NO3S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-2-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-2-(4-ethylsulfonylphenyl)acetamide
PubChem CID118395803
Molecular FormulaC22H27NO3S
Molecular Weight385.53 g/mol
Exact Mass385.17
IUPAC NameN-(4-cyclohexylphenyl)-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C22H27NO3S/c1-2-27(25,26)21-14-8-17(9-15-21)16-22(24)23-20-12-10-19(11-13-20)18-6-4-3-5-7-18/h8-15,18H,2-7,16H2,1H3,(H,23,24)
InChIKeyYGUHUCCACPAMEW-UHFFFAOYSA-N
XLogP4.71
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-2-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of N-(4-cyclohexylphenyl)-2-(4-ethylsulfonylphenyl)acetamide (CID 118395803) is N-(4-cyclohexylphenyl)-2-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(4-cyclohexylphenyl)-2-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for N-(4-cyclohexylphenyl)-2-(4-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C3CCCCC3)cc2)cc1.
What is the InChIKey of N-(4-cyclohexylphenyl)-2-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is YGUHUCCACPAMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3S/c1-2-27(25,26)21-14-8-17(9-15-21)16-22(24)23-20-12-10-19(11-13-20)18-6-4-3-5-7-18/h8-15,18H,2-7,16H2,1H3,(H,23,24).
What are the key properties of N-(4-cyclohexylphenyl)-2-(4-ethylsulfonylphenyl)acetamide?
N-(4-cyclohexylphenyl)-2-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 385.53 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-2-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 118395803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).