2-amino-N-methyl-4-methylsulfonyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide

C10H18F3N3O4S — CID 60946809

IUPAC2-amino-N-methyl-4-methylsulfonyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C10H18F3N3O4S/c1-16(5-8(17)15-6-10(11,12)13)9(18)7(14)3-4-21(2,19)20/h7H,3-6,14H2,1-2H3,(H,15,17)
InChIKeyGJWHXTIYYIQYHH-UHFFFAOYSA-N
MW333.33 g/mol
LogP-1.11
Rot. Bonds7

About 2-amino-N-methyl-4-methylsulfonyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide

2-amino-N-methyl-4-methylsulfonyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide (PubChem CID 60946809) has the molecular formula C10H18F3N3O4S and a molecular weight of 333.33 g/mol. Its IUPAC name is 2-amino-N-methyl-4-methylsulfonyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide.

Molecular Properties

Compound Name2-amino-N-methyl-4-methylsulfonyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide
PubChem CID60946809
Molecular FormulaC10H18F3N3O4S
Molecular Weight333.33 g/mol
Exact Mass333.10
IUPAC Name2-amino-N-methyl-4-methylsulfonyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C10H18F3N3O4S/c1-16(5-8(17)15-6-10(11,12)13)9(18)7(14)3-4-21(2,19)20/h7H,3-6,14H2,1-2H3,(H,15,17)
InChIKeyGJWHXTIYYIQYHH-UHFFFAOYSA-N
XLogP-1.11
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-4-methylsulfonyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide?
The IUPAC name of 2-amino-N-methyl-4-methylsulfonyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide (CID 60946809) is 2-amino-N-methyl-4-methylsulfonyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide.
What is the SMILES notation for 2-amino-N-methyl-4-methylsulfonyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide?
The canonical SMILES for 2-amino-N-methyl-4-methylsulfonyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide is CN(CC(=O)NCC(F)(F)F)C(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-N-methyl-4-methylsulfonyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide?
The InChIKey is GJWHXTIYYIQYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O4S/c1-16(5-8(17)15-6-10(11,12)13)9(18)7(14)3-4-21(2,19)20/h7H,3-6,14H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-N-methyl-4-methylsulfonyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide?
2-amino-N-methyl-4-methylsulfonyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide has a molecular weight of 333.33 g/mol, XLogP of -1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-4-methylsulfonyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide is sourced from PubChem (CID 60946809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).