2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)propanamide

C17H26F2N2O3S — CID 53285610

IUPAC2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)propanamide
SMILESCC(C)C(NC(=O)C(C)N(c1ccc(F)c(F)c1)S(C)(=O)=O)C(C)C
InChIInChI=1S/C17H26F2N2O3S/c1-10(2)16(11(3)4)20-17(22)12(5)21(25(6,23)24)13-7-8-14(18)15(19)9-13/h7-12,16H,1-6H3,(H,20,22)
InChIKeyMRHGWSJCWVMCIR-UHFFFAOYSA-N
MW376.47 g/mol
LogP2.92
Rot. Bonds7

About 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)propanamide

2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)propanamide (PubChem CID 53285610) has the molecular formula C17H26F2N2O3S and a molecular weight of 376.47 g/mol. Its IUPAC name is 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)propanamide.

Molecular Properties

Compound Name2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)propanamide
PubChem CID53285610
Molecular FormulaC17H26F2N2O3S
Molecular Weight376.47 g/mol
Exact Mass376.16
IUPAC Name2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)propanamide
SMILESCC(C)C(NC(=O)C(C)N(c1ccc(F)c(F)c1)S(C)(=O)=O)C(C)C
InChIInChI=1S/C17H26F2N2O3S/c1-10(2)16(11(3)4)20-17(22)12(5)21(25(6,23)24)13-7-8-14(18)15(19)9-13/h7-12,16H,1-6H3,(H,20,22)
InChIKeyMRHGWSJCWVMCIR-UHFFFAOYSA-N
XLogP2.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-pentan-3-ylpropanamide
CID 99132743
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 99131820
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 125080118
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide
CID 125057692
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylpropanamide
CID 99131874
2-(3,4-difluoro-N-methylsulfonylanilino)-N,N-dimethylpropanamide
CID 133219380
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide
CID 99131983
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 133228169
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 99131979
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
CID 100540592
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(2S)-1-phenoxypropan-2-yl]propanamide
CID 125052446
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 99131961

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)propanamide?
The IUPAC name of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)propanamide (CID 53285610) is 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)propanamide.
What is the SMILES notation for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)propanamide?
The canonical SMILES for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)propanamide is CC(C)C(NC(=O)C(C)N(c1ccc(F)c(F)c1)S(C)(=O)=O)C(C)C.
What is the InChIKey of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)propanamide?
The InChIKey is MRHGWSJCWVMCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N2O3S/c1-10(2)16(11(3)4)20-17(22)12(5)21(25(6,23)24)13-7-8-14(18)15(19)9-13/h7-12,16H,1-6H3,(H,20,22).
What are the key properties of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)propanamide?
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)propanamide has a molecular weight of 376.47 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)propanamide is sourced from PubChem (CID 53285610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).