N-[2-(3-cyano-N-methylsulfonylanilino)ethyl]-2-methylpropanamide

C14H19N3O3S — CID 113072223

IUPACN-[2-(3-cyano-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCN(c1cccc(C#N)c1)S(C)(=O)=O
InChIInChI=1S/C14H19N3O3S/c1-11(2)14(18)16-7-8-17(21(3,19)20)13-6-4-5-12(9-13)10-15/h4-6,9,11H,7-8H2,1-3H3,(H,16,18)
InChIKeyXPFYZEPYEIAIFJ-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.10
Rot. Bonds6

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

N-[2-(3-cyano-N-methylsulfonylanilino)ethyl]-2-methylpropanamide (PubChem CID 113072223) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[2-(3-cyano-N-methylsulfonylanilino)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(3-cyano-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
PubChem CID113072223
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-[2-(3-cyano-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCN(c1cccc(C#N)c1)S(C)(=O)=O
InChIInChI=1S/C14H19N3O3S/c1-11(2)14(18)16-7-8-17(21(3,19)20)13-6-4-5-12(9-13)10-15/h4-6,9,11H,7-8H2,1-3H3,(H,16,18)
InChIKeyXPFYZEPYEIAIFJ-UHFFFAOYSA-N
XLogP1.10
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-cyano-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113072229
2-methyl-N-[2-(3-methyl-N-methylsulfonylanilino)ethyl]propanamide
CID 113068604
N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113071997
N-benzyl-3-(3-cyano-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 113146866
3-(3-cyano-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide
CID 113146923
1-[2-(4-cyano-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea
CID 113072346
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113069028
2-(3-cyano-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 51333753
N-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113069223
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyano-N-methylsulfonylanilino)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(3-cyano-N-methylsulfonylanilino)ethyl]-2-methylpropanamide (CID 113072223) is N-[2-(3-cyano-N-methylsulfonylanilino)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(3-cyano-N-methylsulfonylanilino)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(3-cyano-N-methylsulfonylanilino)ethyl]-2-methylpropanamide is CC(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-methylpropanamide?
The InChIKey is XPFYZEPYEIAIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-11(2)14(18)16-7-8-17(21(3,19)20)13-6-4-5-12(9-13)10-15/h4-6,9,11H,7-8H2,1-3H3,(H,16,18).
What are the key properties of N-[2-(3-cyano-N-methylsulfonylanilino)ethyl]-2-methylpropanamide?
N-[2-(3-cyano-N-methylsulfonylanilino)ethyl]-2-methylpropanamide has a molecular weight of 309.39 g/mol, XLogP of 1.10, 6 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-methylpropanamide is sourced from PubChem (CID 113072223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).