2-amino-4-methylsulfonyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide

C10H19F3N2O3S — CID 60947327

IUPAC2-amino-4-methylsulfonyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)N(CC(F)(F)F)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C10H19F3N2O3S/c1-7(2)15(6-10(11,12)13)9(16)8(14)4-5-19(3,17)18/h7-8H,4-6,14H2,1-3H3
InChIKeyOHFIBNYNNKUEEY-UHFFFAOYSA-N
MW304.33 g/mol
LogP0.55
Rot. Bonds6

About 2-amino-4-methylsulfonyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide

2-amino-4-methylsulfonyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 60947327) has the molecular formula C10H19F3N2O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is 2-amino-4-methylsulfonyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name2-amino-4-methylsulfonyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID60947327
Molecular FormulaC10H19F3N2O3S
Molecular Weight304.33 g/mol
Exact Mass304.11
IUPAC Name2-amino-4-methylsulfonyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)N(CC(F)(F)F)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C10H19F3N2O3S/c1-7(2)15(6-10(11,12)13)9(16)8(14)4-5-19(3,17)18/h7-8H,4-6,14H2,1-3H3
InChIKeyOHFIBNYNNKUEEY-UHFFFAOYSA-N
XLogP0.55
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2s)-2-(Acetylamino)-N-Methyl-4-[(R)-Methylsulfinyl]butanamide
CID 44228992
(2S)-2-amino-N-cyclopropyl-4-(4,4,4-trifluorobutylsulfonimidoyl)butanamide
CID 170770283
(2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 174246046
(2S)-2-amino-N-butyl-4-(4,4,4-trifluorobutylsulfonimidoyl)butanamide
CID 174251795
2-amino-4-methanesulfonyl-N,N-dimethylbutanamide hydrobromide
CID 42948602
(2s)-2-(Acetylamino)-N-Methyl-4-[(S)-Methylsulfinyl]butanamide
CID 24178118
(3S)-3-ethyl-4-(3-propan-2-ylsulfonylpropyl)piperazin-2-one
CID 164629712
2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 24692832
(2R)-2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 28177537
N-(4,4-difluoropyrrolidin-3-yl)-3-(methylsulfonyl)propanamide hydrochloride
CID 118073717
N-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide
CID 118073718
N-(4,4-difluoropyrrolidin-3-yl)-3-ethylsulfonylpropanamide
CID 118102575

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfonyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 2-amino-4-methylsulfonyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide (CID 60947327) is 2-amino-4-methylsulfonyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 2-amino-4-methylsulfonyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 2-amino-4-methylsulfonyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide is CC(C)N(CC(F)(F)F)C(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-4-methylsulfonyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is OHFIBNYNNKUEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O3S/c1-7(2)15(6-10(11,12)13)9(16)8(14)4-5-19(3,17)18/h7-8H,4-6,14H2,1-3H3.
What are the key properties of 2-amino-4-methylsulfonyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide?
2-amino-4-methylsulfonyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 304.33 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfonyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 60947327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).