2-methyl-N-[2-(3-methyl-N-methylsulfonylanilino)ethyl]propanamide

C14H22N2O3S — CID 113068604

IUPAC2-methyl-N-[2-(3-methyl-N-methylsulfonylanilino)ethyl]propanamide
SMILESCc1cccc(N(CCNC(=O)C(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C14H22N2O3S/c1-11(2)14(17)15-8-9-16(20(4,18)19)13-7-5-6-12(3)10-13/h5-7,10-11H,8-9H2,1-4H3,(H,15,17)
InChIKeyWLWUIHYRXDXFLZ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.53
Rot. Bonds6

About 2-methyl-N-[2-(3-methyl-N-methylsulfonylanilino)ethyl]propanamide

2-methyl-N-[2-(3-methyl-N-methylsulfonylanilino)ethyl]propanamide (PubChem CID 113068604) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-methyl-N-[2-(3-methyl-N-methylsulfonylanilino)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(3-methyl-N-methylsulfonylanilino)ethyl]propanamide
PubChem CID113068604
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-methyl-N-[2-(3-methyl-N-methylsulfonylanilino)ethyl]propanamide
SMILESCc1cccc(N(CCNC(=O)C(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C14H22N2O3S/c1-11(2)14(17)15-8-9-16(20(4,18)19)13-7-5-6-12(3)10-13/h5-7,10-11H,8-9H2,1-4H3,(H,15,17)
InChIKeyWLWUIHYRXDXFLZ-UHFFFAOYSA-N
XLogP1.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-cyano-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113072223
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113069028
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113068768
N-(3-methylbutyl)-4-(3-methyl-N-methylsulfonylanilino)butanamide
CID 9172781
N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113071997
1-cyclohexyl-3-[2-(3-methyl-N-methylsulfonylanilino)ethyl]urea
CID 113068655
N-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]-2-(3-methylphenyl)acetamide
CID 113070993
N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113069288
N-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113069223
N-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-4-methylbenzamide
CID 113069873
(2S)-2-[4-(3-methyl-N-methylsulfonylanilino)butanoyl-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100548909
2-[4-(3-methyl-N-methylsulfonylanilino)butanoyl-[(2-methylphenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132729607

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(3-methyl-N-methylsulfonylanilino)ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-(3-methyl-N-methylsulfonylanilino)ethyl]propanamide (CID 113068604) is 2-methyl-N-[2-(3-methyl-N-methylsulfonylanilino)ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-(3-methyl-N-methylsulfonylanilino)ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-(3-methyl-N-methylsulfonylanilino)ethyl]propanamide is Cc1cccc(N(CCNC(=O)C(C)C)S(C)(=O)=O)c1.
What is the InChIKey of 2-methyl-N-[2-(3-methyl-N-methylsulfonylanilino)ethyl]propanamide?
The InChIKey is WLWUIHYRXDXFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11(2)14(17)15-8-9-16(20(4,18)19)13-7-5-6-12(3)10-13/h5-7,10-11H,8-9H2,1-4H3,(H,15,17).
What are the key properties of 2-methyl-N-[2-(3-methyl-N-methylsulfonylanilino)ethyl]propanamide?
2-methyl-N-[2-(3-methyl-N-methylsulfonylanilino)ethyl]propanamide has a molecular weight of 298.41 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(3-methyl-N-methylsulfonylanilino)ethyl]propanamide is sourced from PubChem (CID 113068604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).