N-[2-(3-cyano-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide

C15H21N3O3S — CID 113072229

IUPACN-[2-(3-cyano-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCN(c1cccc(C#N)c1)S(C)(=O)=O
InChIInChI=1S/C15H21N3O3S/c1-15(2,3)14(19)17-8-9-18(22(4,20)21)13-7-5-6-12(10-13)11-16/h5-7,10H,8-9H2,1-4H3,(H,17,19)
InChIKeyFNHOKHNBGBSRSY-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.49
Rot. Bonds5

About N-[2-(3-cyano-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide

N-[2-(3-cyano-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide (PubChem CID 113072229) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[2-(3-cyano-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(3-cyano-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
PubChem CID113072229
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-[2-(3-cyano-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCN(c1cccc(C#N)c1)S(C)(=O)=O
InChIInChI=1S/C15H21N3O3S/c1-15(2,3)14(19)17-8-9-18(22(4,20)21)13-7-5-6-12(10-13)11-16/h5-7,10H,8-9H2,1-4H3,(H,17,19)
InChIKeyFNHOKHNBGBSRSY-UHFFFAOYSA-N
XLogP1.49
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-cyano-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113072223
N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113072003
3-(3-cyano-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide
CID 113146923
2-(3-cyano-N-methylsulfonylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 134044336
3-(3-cyano-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113146899
3-(3-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide
CID 113146821
3-(3-cyano-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113146886
N-benzyl-3-(3-cyano-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 113146866
N-(3-cyanophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113146833
N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113069583
N-[2-(4-cyano-N-methylsulfonylanilino)ethyl]benzamide
CID 113072304
N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113069984

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyano-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(3-cyano-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide (CID 113072229) is N-[2-(3-cyano-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(3-cyano-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(3-cyano-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCN(c1cccc(C#N)c1)S(C)(=O)=O.
What is the InChIKey of N-[2-(3-cyano-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide?
The InChIKey is FNHOKHNBGBSRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-15(2,3)14(19)17-8-9-18(22(4,20)21)13-7-5-6-12(10-13)11-16/h5-7,10H,8-9H2,1-4H3,(H,17,19).
What are the key properties of N-[2-(3-cyano-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide?
N-[2-(3-cyano-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide has a molecular weight of 323.42 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyano-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 113072229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).