N-[4-(2-cyanopropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide

C20H22N2O3S — CID 118395829

IUPACN-[4-(2-cyanopropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1
InChIInChI=1S/C20H22N2O3S/c1-4-26(24,25)18-11-5-15(6-12-18)13-19(23)22-17-9-7-16(8-10-17)20(2,3)14-21/h5-12H,4,13H2,1-3H3,(H,22,23)
InChIKeyFVCLKKTYTOAOQT-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.46
Rot. Bonds6

About N-[4-(2-cyanopropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide

N-[4-(2-cyanopropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide (PubChem CID 118395829) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[4-(2-cyanopropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(2-cyanopropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
PubChem CID118395829
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-[4-(2-cyanopropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1
InChIInChI=1S/C20H22N2O3S/c1-4-26(24,25)18-11-5-15(6-12-18)13-19(23)22-17-9-7-16(8-10-17)20(2,3)14-21/h5-12H,4,13H2,1-3H3,(H,22,23)
InChIKeyFVCLKKTYTOAOQT-UHFFFAOYSA-N
XLogP3.46
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyanopropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of N-[4-(2-cyanopropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide (CID 118395829) is N-[4-(2-cyanopropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[4-(2-cyanopropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for N-[4-(2-cyanopropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1.
What is the InChIKey of N-[4-(2-cyanopropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is FVCLKKTYTOAOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-4-26(24,25)18-11-5-15(6-12-18)13-19(23)22-17-9-7-16(8-10-17)20(2,3)14-21/h5-12H,4,13H2,1-3H3,(H,22,23).
What are the key properties of N-[4-(2-cyanopropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
N-[4-(2-cyanopropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 370.47 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-cyanopropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 118395829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).