N-(2,2-difluoroethyl)-3-[methylsulfonyl(propan-2-yl)amino]propanamide

C9H18F2N2O3S — CID 164995161

IUPACN-(2,2-difluoroethyl)-3-[methylsulfonyl(propan-2-yl)amino]propanamide
SMILESCC(C)N(CCC(=O)NCC(F)F)S(C)(=O)=O
InChIInChI=1S/C9H18F2N2O3S/c1-7(2)13(17(3,15)16)5-4-9(14)12-6-8(10)11/h7-8H,4-6H2,1-3H3,(H,12,14)
InChIKeySKGJGSAFGXIKNI-UHFFFAOYSA-N
MW272.32 g/mol
LogP0.43
Rot. Bonds7

About N-(2,2-difluoroethyl)-3-[methylsulfonyl(propan-2-yl)amino]propanamide

N-(2,2-difluoroethyl)-3-[methylsulfonyl(propan-2-yl)amino]propanamide (PubChem CID 164995161) has the molecular formula C9H18F2N2O3S and a molecular weight of 272.32 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3-[methylsulfonyl(propan-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3-[methylsulfonyl(propan-2-yl)amino]propanamide
PubChem CID164995161
Molecular FormulaC9H18F2N2O3S
Molecular Weight272.32 g/mol
Exact Mass272.10
IUPAC NameN-(2,2-difluoroethyl)-3-[methylsulfonyl(propan-2-yl)amino]propanamide
SMILESCC(C)N(CCC(=O)NCC(F)F)S(C)(=O)=O
InChIInChI=1S/C9H18F2N2O3S/c1-7(2)13(17(3,15)16)5-4-9(14)12-6-8(10)11/h7-8H,4-6H2,1-3H3,(H,12,14)
InChIKeySKGJGSAFGXIKNI-UHFFFAOYSA-N
XLogP0.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-[methylsulfonyl(propan-2-yl)amino]propanamide
CID 113136060
3-[butan-2-yl(methylsulfonyl)amino]-N-(2-methylpropyl)propanamide
CID 113137004
3-[methylsulfonyl(propan-2-yl)amino]-N-(2-phenylethyl)propanamide
CID 113136085
3-[butan-2-yl(methylsulfonyl)amino]-N-propan-2-ylpropanamide
CID 113137000
N,N-diethyl-3-[methylsulfonyl(propan-2-yl)amino]propanamide
CID 113136116
N-(3-chloro-4-fluorophenyl)-3-[methylsulfonyl(propan-2-yl)amino]propanamide
CID 113136167
3-[methylsulfonyl(propan-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113136185
3-(dimethylamino)-N-(2-hydroxy-3-methylbutyl)propanamide
CID 115746120
N-(2-methylpropyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143124
methyl 3-[3-[methylsulfonyl(propan-2-yl)amino]propanoylamino]benzoate
CID 113136192
2-chloro-N-(2,2-difluoroethyl)acetamide
CID 115349396
tert-butyl 4-(2,2-difluoroethylamino)-4-oxobutanoate
CID 106707626

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3-[methylsulfonyl(propan-2-yl)amino]propanamide?
The IUPAC name of N-(2,2-difluoroethyl)-3-[methylsulfonyl(propan-2-yl)amino]propanamide (CID 164995161) is N-(2,2-difluoroethyl)-3-[methylsulfonyl(propan-2-yl)amino]propanamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-3-[methylsulfonyl(propan-2-yl)amino]propanamide?
The canonical SMILES for N-(2,2-difluoroethyl)-3-[methylsulfonyl(propan-2-yl)amino]propanamide is CC(C)N(CCC(=O)NCC(F)F)S(C)(=O)=O.
What is the InChIKey of N-(2,2-difluoroethyl)-3-[methylsulfonyl(propan-2-yl)amino]propanamide?
The InChIKey is SKGJGSAFGXIKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O3S/c1-7(2)13(17(3,15)16)5-4-9(14)12-6-8(10)11/h7-8H,4-6H2,1-3H3,(H,12,14).
What are the key properties of N-(2,2-difluoroethyl)-3-[methylsulfonyl(propan-2-yl)amino]propanamide?
N-(2,2-difluoroethyl)-3-[methylsulfonyl(propan-2-yl)amino]propanamide has a molecular weight of 272.32 g/mol, XLogP of 0.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3-[methylsulfonyl(propan-2-yl)amino]propanamide is sourced from PubChem (CID 164995161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).