N-[4-(1-cyanocyclopropyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide

C20H20N2O3S — CID 118395806

IUPACN-[4-(1-cyanocyclopropyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C3(C#N)CC3)cc2)cc1
InChIInChI=1S/C20H20N2O3S/c1-2-26(24,25)18-9-3-15(4-10-18)13-19(23)22-17-7-5-16(6-8-17)20(14-21)11-12-20/h3-10H,2,11-13H2,1H3,(H,22,23)
InChIKeyLUEBTRSQOOTTRD-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.22
Rot. Bonds6

About N-[4-(1-cyanocyclopropyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide

N-[4-(1-cyanocyclopropyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide (PubChem CID 118395806) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[4-(1-cyanocyclopropyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(1-cyanocyclopropyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
PubChem CID118395806
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN-[4-(1-cyanocyclopropyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C3(C#N)CC3)cc2)cc1
InChIInChI=1S/C20H20N2O3S/c1-2-26(24,25)18-9-3-15(4-10-18)13-19(23)22-17-7-5-16(6-8-17)20(14-21)11-12-20/h3-10H,2,11-13H2,1H3,(H,22,23)
InChIKeyLUEBTRSQOOTTRD-UHFFFAOYSA-N
XLogP3.22
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide
CID 100787409
N-[4-(1-cyanocyclopentyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 21216723
2-(4-ethylsulfonylphenyl)-N-(4-nitrophenyl)acetamide
CID 18587060
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide
CID 100792366
2-(4-ethylsulfonylphenyl)-N-[4-(2-methoxypropan-2-yl)phenyl]acetamide
CID 155529665
2-(4-ethylsulfonylphenyl)-N-[4-(hydroxyiminomethyl)phenyl]acetamide
CID 175369454
2-(4-ethylsulfonylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
CID 71285701
N-[4-[1-(3,4-difluorophenyl)cyclobutyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118455928
N-[4-[1-(4-chloro-3-fluorophenyl)cyclopropyl]oxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118456151
1-amino-N-(4-ethylsulfonylphenyl)cyclopropane-1-carboxamide
CID 65466585
N-(4-cyanophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771370
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide
CID 100790630

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyanocyclopropyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of N-[4-(1-cyanocyclopropyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide (CID 118395806) is N-[4-(1-cyanocyclopropyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[4-(1-cyanocyclopropyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for N-[4-(1-cyanocyclopropyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C3(C#N)CC3)cc2)cc1.
What is the InChIKey of N-[4-(1-cyanocyclopropyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is LUEBTRSQOOTTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-2-26(24,25)18-9-3-15(4-10-18)13-19(23)22-17-7-5-16(6-8-17)20(14-21)11-12-20/h3-10H,2,11-13H2,1H3,(H,22,23).
What are the key properties of N-[4-(1-cyanocyclopropyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
N-[4-(1-cyanocyclopropyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 368.46 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyanocyclopropyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 118395806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).