N-tert-butyl-2-(N-methylsulfonylanilino)acetamide

C13H20N2O3S — CID 51343017

IUPACN-tert-butyl-2-(N-methylsulfonylanilino)acetamide
SMILESCC(C)(C)NC(=O)CN(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C13H20N2O3S/c1-13(2,3)14-12(16)10-15(19(4,17)18)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,14,16)
InChIKeyMROHQXAESCWLLU-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.37
Rot. Bonds4

About N-tert-butyl-2-(N-methylsulfonylanilino)acetamide

N-tert-butyl-2-(N-methylsulfonylanilino)acetamide (PubChem CID 51343017) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-tert-butyl-2-(N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(N-methylsulfonylanilino)acetamide
PubChem CID51343017
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-tert-butyl-2-(N-methylsulfonylanilino)acetamide
SMILESCC(C)(C)NC(=O)CN(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C13H20N2O3S/c1-13(2,3)14-12(16)10-15(19(4,17)18)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,14,16)
InChIKeyMROHQXAESCWLLU-UHFFFAOYSA-N
XLogP1.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 3963871
2-(3-acetyl-N-methylsulfonylanilino)-N-tert-butylacetamide
CID 3538765
N-tert-butyl-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 3139233
N-tert-butyl-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 3130608
2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 40633950
N-[(2S)-3-methylbutan-2-yl]-2-(N-methylsulfonylanilino)acetamide
CID 100563073
2-(N-methylsulfonylanilino)acetate
CID 2063945
N-(2,6-diethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 113153665
2-[N-(benzenesulfonyl)-3-methylanilino]-N-tert-butylacetamide
CID 51345177
N-(2-methylbutan-2-yl)-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 30218239
N-tert-butyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150856
N-(4-fluorophenyl)-2-(N-methylsulfonylanilino)acetamide
CID 773985

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(N-methylsulfonylanilino)acetamide?
The IUPAC name of N-tert-butyl-2-(N-methylsulfonylanilino)acetamide (CID 51343017) is N-tert-butyl-2-(N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-tert-butyl-2-(N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-tert-butyl-2-(N-methylsulfonylanilino)acetamide is CC(C)(C)NC(=O)CN(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-tert-butyl-2-(N-methylsulfonylanilino)acetamide?
The InChIKey is MROHQXAESCWLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-13(2,3)14-12(16)10-15(19(4,17)18)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,14,16).
What are the key properties of N-tert-butyl-2-(N-methylsulfonylanilino)acetamide?
N-tert-butyl-2-(N-methylsulfonylanilino)acetamide has a molecular weight of 284.38 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 51343017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).