3-(4-ethylsulfonylanilino)-N,2,2-trimethylpropanamide

C14H22N2O3S — CID 102846503

IUPAC3-(4-ethylsulfonylanilino)-N,2,2-trimethylpropanamide
SMILESCCS(=O)(=O)c1ccc(NCC(C)(C)C(=O)NC)cc1
InChIInChI=1S/C14H22N2O3S/c1-5-20(18,19)12-8-6-11(7-9-12)16-10-14(2,3)13(17)15-4/h6-9,16H,5,10H2,1-4H3,(H,15,17)
InChIKeyXVARYROVOUIFSW-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.66
Rot. Bonds6

About 3-(4-ethylsulfonylanilino)-N,2,2-trimethylpropanamide

3-(4-ethylsulfonylanilino)-N,2,2-trimethylpropanamide (PubChem CID 102846503) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-(4-ethylsulfonylanilino)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-(4-ethylsulfonylanilino)-N,2,2-trimethylpropanamide
PubChem CID102846503
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-(4-ethylsulfonylanilino)-N,2,2-trimethylpropanamide
SMILESCCS(=O)(=O)c1ccc(NCC(C)(C)C(=O)NC)cc1
InChIInChI=1S/C14H22N2O3S/c1-5-20(18,19)12-8-6-11(7-9-12)16-10-14(2,3)13(17)15-4/h6-9,16H,5,10H2,1-4H3,(H,15,17)
InChIKeyXVARYROVOUIFSW-UHFFFAOYSA-N
XLogP1.66
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethylbutyl)-4-ethylsulfonylaniline
CID 103462508
4-ethylsulfonyl-N-(2,2,2-trifluoroethyl)aniline
CID 43453365
4-ethylsulfonyl-N-(2,2,3,3-tetrafluoropropyl)aniline
CID 106294314
3-[(4-ethylsulfonylanilino)methyl]-N-methylbenzamide
CID 133312538
3-(2-amino-4-methylsulfonylanilino)-N,2,2-trimethylpropanamide
CID 106275284
methyl 2,2-dimethyl-3-(4-methylsulfonylanilino)propanoate
CID 79629519
4-ethylsulfonyl-N-(2-methylpropyl)aniline
CID 43453340
3-[[4-(bromomethyl)phenyl]sulfonylamino]-N,2,2-trimethylpropanamide
CID 106279745
1-(4-ethylsulfonylanilino)-4,4-dimethylpentan-2-ol
CID 102846374
2-(tert-butylamino)-N-(4-ethylsulfonylphenyl)acetamide
CID 78923640
3-[(6-carbamothioyl-3-pyridinyl)amino]-N,2,2-trimethylpropanamide
CID 106277603
4-ethylsulfonyl-N-pentylaniline
CID 43453358

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylsulfonylanilino)-N,2,2-trimethylpropanamide?
The IUPAC name of 3-(4-ethylsulfonylanilino)-N,2,2-trimethylpropanamide (CID 102846503) is 3-(4-ethylsulfonylanilino)-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-(4-ethylsulfonylanilino)-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-(4-ethylsulfonylanilino)-N,2,2-trimethylpropanamide is CCS(=O)(=O)c1ccc(NCC(C)(C)C(=O)NC)cc1.
What is the InChIKey of 3-(4-ethylsulfonylanilino)-N,2,2-trimethylpropanamide?
The InChIKey is XVARYROVOUIFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-5-20(18,19)12-8-6-11(7-9-12)16-10-14(2,3)13(17)15-4/h6-9,16H,5,10H2,1-4H3,(H,15,17).
What are the key properties of 3-(4-ethylsulfonylanilino)-N,2,2-trimethylpropanamide?
3-(4-ethylsulfonylanilino)-N,2,2-trimethylpropanamide has a molecular weight of 298.41 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylsulfonylanilino)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 102846503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).