N-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide

C21H22N2O3S — CID 24565396

IUPACN-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3ccc(C#N)cc3)CCCC2)c1
InChIInChI=1S/C21H22N2O3S/c1-15-5-6-16(2)19(13-15)27(25,26)21(11-3-4-12-21)20(24)23-18-9-7-17(14-22)8-10-18/h5-10,13H,3-4,11-12H2,1-2H3,(H,23,24)
InChIKeyTVVWPYOPHCTXIU-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.90
Rot. Bonds4

About N-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide

N-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide (PubChem CID 24565396) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
PubChem CID24565396
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC NameN-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3ccc(C#N)cc3)CCCC2)c1
InChIInChI=1S/C21H22N2O3S/c1-15-5-6-16(2)19(13-15)27(25,26)21(11-3-4-12-21)20(24)23-18-9-7-17(14-22)8-10-18/h5-10,13H,3-4,11-12H2,1-2H3,(H,23,24)
InChIKeyTVVWPYOPHCTXIU-UHFFFAOYSA-N
XLogP3.90
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide (CID 24565396) is N-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide is Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3ccc(C#N)cc3)CCCC2)c1.
What is the InChIKey of N-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide?
The InChIKey is TVVWPYOPHCTXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-15-5-6-16(2)19(13-15)27(25,26)21(11-3-4-12-21)20(24)23-18-9-7-17(14-22)8-10-18/h5-10,13H,3-4,11-12H2,1-2H3,(H,23,24).
What are the key properties of N-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide?
N-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide is sourced from PubChem (CID 24565396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).