N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide

C18H30N2O3S — CID 113069583

IUPACN-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCN(c1ccccc1C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C18H30N2O3S/c1-17(2,3)14-10-8-9-11-15(14)20(24(7,22)23)13-12-19-16(21)18(4,5)6/h8-11H,12-13H2,1-7H3,(H,19,21)
InChIKeySPNVOWAIYKCBAE-UHFFFAOYSA-N
MW354.52 g/mol
LogP2.91
Rot. Bonds5

About N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide

N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide (PubChem CID 113069583) has the molecular formula C18H30N2O3S and a molecular weight of 354.52 g/mol. Its IUPAC name is N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
PubChem CID113069583
Molecular FormulaC18H30N2O3S
Molecular Weight354.52 g/mol
Exact Mass354.20
IUPAC NameN-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCN(c1ccccc1C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C18H30N2O3S/c1-17(2,3)14-10-8-9-11-15(14)20(24(7,22)23)13-12-19-16(21)18(4,5)6/h8-11H,12-13H2,1-7H3,(H,19,21)
InChIKeySPNVOWAIYKCBAE-UHFFFAOYSA-N
XLogP2.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113069597
N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
CID 113069578
N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide
CID 113069581
N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113069984
N-butyl-3-(2-tert-butyl-N-methylsulfonylanilino)propanamide
CID 113143293
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113068774
tert-butyl N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]carbamate
CID 113070895
2-methyl-N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]propanamide
CID 113070881
2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide
CID 113067937
2-(2-tert-butyl-N-methylsulfonylanilino)-N-prop-2-enylacetamide
CID 113154543
N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113072003
N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide
CID 113070892

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide (CID 113069583) is N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCN(c1ccccc1C(C)(C)C)S(C)(=O)=O.
What is the InChIKey of N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide?
The InChIKey is SPNVOWAIYKCBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3S/c1-17(2,3)14-10-8-9-11-15(14)20(24(7,22)23)13-12-19-16(21)18(4,5)6/h8-11H,12-13H2,1-7H3,(H,19,21).
What are the key properties of N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide?
N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide has a molecular weight of 354.52 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 113069583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).