N-(2-amino-2-ethylbutyl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide

C15H22F2N2O3S — CID 119641229

IUPACN-(2-amino-2-ethylbutyl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide
SMILESCCC(N)(CC)CNC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C15H22F2N2O3S/c1-3-15(18,4-2)10-19-13(20)9-11-5-7-12(8-6-11)23(21,22)14(16)17/h5-8,14H,3-4,9-10,18H2,1-2H3,(H,19,20)
InChIKeyGHILUFOEEGLUCG-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.86
Rot. Bonds8

About N-(2-amino-2-ethylbutyl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide

N-(2-amino-2-ethylbutyl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide (PubChem CID 119641229) has the molecular formula C15H22F2N2O3S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide
PubChem CID119641229
Molecular FormulaC15H22F2N2O3S
Molecular Weight348.42 g/mol
Exact Mass348.13
IUPAC NameN-(2-amino-2-ethylbutyl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide
SMILESCCC(N)(CC)CNC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C15H22F2N2O3S/c1-3-15(18,4-2)10-19-13(20)9-11-5-7-12(8-6-11)23(21,22)14(16)17/h5-8,14H,3-4,9-10,18H2,1-2H3,(H,19,20)
InChIKeyGHILUFOEEGLUCG-UHFFFAOYSA-N
XLogP1.86
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-ethylbutyl)-2-(4-aminophenyl)acetamide
CID 122080857
N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)acetamide
CID 81484294
N-(2-amino-2-ethylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 119261247
2-[[2-[4-(difluoromethylsulfonyl)phenyl]acetyl]amino]acetic acid
CID 119349957
N-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide
CID 81484734
N-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide;hydrochloride
CID 119642438
N-(2-amino-2-ethylbutyl)-2-(3,4-dimethylphenyl)acetamide
CID 81484732
4-[[2-[4-(difluoromethylsulfonyl)phenyl]acetyl]amino]butanoic acid
CID 119352372
N-(2-amino-2-ethylbutyl)-2-thiophen-3-ylacetamide;hydrochloride
CID 119641880
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
CID 119573606
N-(2-amino-2-ethylbutyl)-2-(3,4-dimethoxyphenyl)acetamide;hydrochloride
CID 119641340
(2R)-2-[[2-[4-(difluoromethylsulfonyl)phenyl]acetyl]amino]-4-methylpentanoic acid
CID 119363039

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide (CID 119641229) is N-(2-amino-2-ethylbutyl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide is CCC(N)(CC)CNC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide?
The InChIKey is GHILUFOEEGLUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O3S/c1-3-15(18,4-2)10-19-13(20)9-11-5-7-12(8-6-11)23(21,22)14(16)17/h5-8,14H,3-4,9-10,18H2,1-2H3,(H,19,20).
What are the key properties of N-(2-amino-2-ethylbutyl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide?
N-(2-amino-2-ethylbutyl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide has a molecular weight of 348.42 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide is sourced from PubChem (CID 119641229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).