N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2-methylpropanamide

C13H18Cl2N2O3S — CID 113071997

IUPACN-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C13H18Cl2N2O3S/c1-9(2)13(18)16-4-5-17(21(3,19)20)12-7-10(14)6-11(15)8-12/h6-9H,4-5H2,1-3H3,(H,16,18)
InChIKeyFNCJTVNIIDOXCO-UHFFFAOYSA-N
MW353.27 g/mol
LogP2.53
Rot. Bonds6

About N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2-methylpropanamide

N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2-methylpropanamide (PubChem CID 113071997) has the molecular formula C13H18Cl2N2O3S and a molecular weight of 353.27 g/mol. Its IUPAC name is N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
PubChem CID113071997
Molecular FormulaC13H18Cl2N2O3S
Molecular Weight353.27 g/mol
Exact Mass352.04
IUPAC NameN-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C13H18Cl2N2O3S/c1-9(2)13(18)16-4-5-17(21(3,19)20)12-7-10(14)6-11(15)8-12/h6-9H,4-5H2,1-3H3,(H,16,18)
InChIKeyFNCJTVNIIDOXCO-UHFFFAOYSA-N
XLogP2.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113072003
N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113070076
3-(3,5-dichloro-N-methylsulfonylanilino)propanoic acid
CID 50892451
3-(3,5-dichloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113146558
2-methyl-N-[2-(3-methyl-N-methylsulfonylanilino)ethyl]propanamide
CID 113068604
N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-2-methylpropanamide
CID 113063711
N-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113069223
N-[2-(3-cyano-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113072223
2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide
CID 3138298
N-(3,5-dichlorophenyl)-N-(2-oxopropyl)methanesulfonamide
CID 20524752
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113069028
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113068768

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2-methylpropanamide (CID 113071997) is N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2-methylpropanamide is CC(C)C(=O)NCCN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2-methylpropanamide?
The InChIKey is FNCJTVNIIDOXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O3S/c1-9(2)13(18)16-4-5-17(21(3,19)20)12-7-10(14)6-11(15)8-12/h6-9H,4-5H2,1-3H3,(H,16,18).
What are the key properties of N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2-methylpropanamide?
N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2-methylpropanamide has a molecular weight of 353.27 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2-methylpropanamide is sourced from PubChem (CID 113071997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).