N-(2-methylpropyl)-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide

C10H18F3NO3S — CID 78882937

IUPACN-(2-methylpropyl)-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)CCS(C)(=O)=O
InChIInChI=1S/C10H18F3NO3S/c1-8(2)6-14(7-10(11,12)13)9(15)4-5-18(3,16)17/h8H,4-7H2,1-3H3
InChIKeySQBFMAAQKRAXJH-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.47
Rot. Bonds6

About N-(2-methylpropyl)-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide

N-(2-methylpropyl)-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 78882937) has the molecular formula C10H18F3NO3S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID78882937
Molecular FormulaC10H18F3NO3S
Molecular Weight289.32 g/mol
Exact Mass289.10
IUPAC NameN-(2-methylpropyl)-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)CCS(C)(=O)=O
InChIInChI=1S/C10H18F3NO3S/c1-8(2)6-14(7-10(11,12)13)9(15)4-5-18(3,16)17/h8H,4-7H2,1-3H3
InChIKeySQBFMAAQKRAXJH-UHFFFAOYSA-N
XLogP1.47
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2-methylpropyl)-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-(2-methylpropyl)-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide (CID 78882937) is N-(2-methylpropyl)-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-(2-methylpropyl)-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-(2-methylpropyl)-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide is CC(C)CN(CC(F)(F)F)C(=O)CCS(C)(=O)=O.
What is the InChIKey of N-(2-methylpropyl)-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is SQBFMAAQKRAXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3S/c1-8(2)6-14(7-10(11,12)13)9(15)4-5-18(3,16)17/h8H,4-7H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide?
N-(2-methylpropyl)-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 289.32 g/mol, XLogP of 1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 78882937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).