2-amino-4-methylsulfonyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide

C10H19F3N2O3S — CID 60944737

IUPAC2-amino-4-methylsulfonyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCCN(CC(F)(F)F)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C10H19F3N2O3S/c1-3-5-15(7-10(11,12)13)9(16)8(14)4-6-19(2,17)18/h8H,3-7,14H2,1-2H3
InChIKeyBQIFYABREWRTOA-UHFFFAOYSA-N
MW304.33 g/mol
LogP0.55
Rot. Bonds7

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

2-amino-4-methylsulfonyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 60944737) has the molecular formula C10H19F3N2O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is 2-amino-4-methylsulfonyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name2-amino-4-methylsulfonyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID60944737
Molecular FormulaC10H19F3N2O3S
Molecular Weight304.33 g/mol
Exact Mass304.11
IUPAC Name2-amino-4-methylsulfonyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCCN(CC(F)(F)F)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C10H19F3N2O3S/c1-3-5-15(7-10(11,12)13)9(16)8(14)4-6-19(2,17)18/h8H,3-7,14H2,1-2H3
InChIKeyBQIFYABREWRTOA-UHFFFAOYSA-N
XLogP0.55
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61146661
2-amino-N-methyl-4-methylsulfonyl-N-propylbutanamide
CID 43271338
(2S)-2-amino-3,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
CID 61164894
(2S)-2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide
CID 79024297
(2S)-2-amino-3-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61164512
2-amino-N,N-bis(3-methylbutyl)-4-methylsulfonylbutanamide;hydrochloride
CID 119955717
(2S)-2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)hexanamide
CID 107144494
(2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide
CID 107144500
2-amino-N-(2-ethoxyethyl)-N-ethyl-4-methylsulfonylbutanamide
CID 63690929
(2S)-2-amino-N-methyl-N-(2-methylsulfonylethyl)pentanamide
CID 107570108
methyl 3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]-(2,2,2-trifluoroethyl)amino]propanoate
CID 61164154
(2R)-2-amino-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 107568767

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfonyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 2-amino-4-methylsulfonyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide (CID 60944737) is 2-amino-4-methylsulfonyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 2-amino-4-methylsulfonyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 2-amino-4-methylsulfonyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide is CCCN(CC(F)(F)F)C(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-4-methylsulfonyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is BQIFYABREWRTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O3S/c1-3-5-15(7-10(11,12)13)9(16)8(14)4-6-19(2,17)18/h8H,3-7,14H2,1-2H3.
What are the key properties of 2-amino-4-methylsulfonyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide?
2-amino-4-methylsulfonyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 304.33 g/mol, XLogP of 0.55, 7 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-propyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 60944737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).