N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide

C15H24N2O3S — CID 113069028

IUPACN-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
SMILESCc1cccc(C)c1N(CCNC(=O)C(C)C)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-11(2)15(18)16-9-10-17(21(5,19)20)14-12(3)7-6-8-13(14)4/h6-8,11H,9-10H2,1-5H3,(H,16,18)
InChIKeyFCUDPEJZNVOVLN-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.84
Rot. Bonds6

About N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide

N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide (PubChem CID 113069028) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
PubChem CID113069028
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
SMILESCc1cccc(C)c1N(CCNC(=O)C(C)C)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-11(2)15(18)16-9-10-17(21(5,19)20)14-12(3)7-6-8-13(14)4/h6-8,11H,9-10H2,1-5H3,(H,16,18)
InChIKeyFCUDPEJZNVOVLN-UHFFFAOYSA-N
XLogP1.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113069288
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113069035
methyl N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]carbamate
CID 113069326
2-ethyl-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]butanamide
CID 113069547
2-methyl-N-[2-(3-methyl-N-methylsulfonylanilino)ethyl]propanamide
CID 113068604
N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
CID 113069299
N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]-2-phenylacetamide
CID 113069558
N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
CID 113069515
4-chloro-N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113069060
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113069067
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113068768
N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113070076

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide (CID 113069028) is N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide is Cc1cccc(C)c1N(CCNC(=O)C(C)C)S(C)(=O)=O.
What is the InChIKey of N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide?
The InChIKey is FCUDPEJZNVOVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11(2)15(18)16-9-10-17(21(5,19)20)14-12(3)7-6-8-13(14)4/h6-8,11H,9-10H2,1-5H3,(H,16,18).
What are the key properties of N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide?
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide has a molecular weight of 312.44 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide is sourced from PubChem (CID 113069028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).