2-(tert-butylamino)-N-(4-ethylsulfonylphenyl)acetamide

C14H22N2O3S — CID 78923640

IUPAC2-(tert-butylamino)-N-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)CNC(C)(C)C)cc1
InChIInChI=1S/C14H22N2O3S/c1-5-20(18,19)12-8-6-11(7-9-12)16-13(17)10-15-14(2,3)4/h6-9,15H,5,10H2,1-4H3,(H,16,17)
InChIKeyDBABFCIFXQPZNA-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.81
Rot. Bonds5

About 2-(tert-butylamino)-N-(4-ethylsulfonylphenyl)acetamide

2-(tert-butylamino)-N-(4-ethylsulfonylphenyl)acetamide (PubChem CID 78923640) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-(4-ethylsulfonylphenyl)acetamide
PubChem CID78923640
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-(tert-butylamino)-N-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)CNC(C)(C)C)cc1
InChIInChI=1S/C14H22N2O3S/c1-5-20(18,19)12-8-6-11(7-9-12)16-13(17)10-15-14(2,3)4/h6-9,15H,5,10H2,1-4H3,(H,16,17)
InChIKeyDBABFCIFXQPZNA-UHFFFAOYSA-N
XLogP1.81
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylsulfonylphenyl)-2-(prop-2-enylamino)acetamide
CID 79285005
2-(tert-butylamino)-N-(4-methoxyphenyl)acetamide
CID 27149891
2-(tert-butylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 47842254
4-(4-ethylsulfonylanilino)-4-oxobutanoic acid
CID 54867875
ethyl 4-(4-ethylsulfonylanilino)-4-oxobutanoate
CID 30179824
N-(4-acetamidophenyl)-2-(2-methylbutan-2-ylamino)acetamide
CID 17414098
4-amino-N-(4-ethylsulfonylphenyl)butanamide
CID 43704501
2-(4-ethylsulfonylphenyl)-N-[4-(2-methoxypropan-2-yl)phenyl]acetamide
CID 155529665
N-(4-ethylsulfonylphenyl)-4-(methylamino)butanamide
CID 60842770
N-(4-ethylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 39862572
2-(tert-butylamino)-N-(3-hydroxy-4-methylphenyl)acetamide
CID 103828117
3-(tert-butylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 60849933

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of 2-(tert-butylamino)-N-(4-ethylsulfonylphenyl)acetamide (CID 78923640) is 2-(tert-butylamino)-N-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-(4-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccc(NC(=O)CNC(C)(C)C)cc1.
What is the InChIKey of 2-(tert-butylamino)-N-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is DBABFCIFXQPZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-5-20(18,19)12-8-6-11(7-9-12)16-13(17)10-15-14(2,3)4/h6-9,15H,5,10H2,1-4H3,(H,16,17).
What are the key properties of 2-(tert-butylamino)-N-(4-ethylsulfonylphenyl)acetamide?
2-(tert-butylamino)-N-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 298.41 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 78923640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).