N-[2-fluoro-3-methyl-3-[2-[2-[2-(1-sulfanylethylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide

C17H35FN2O4S — CID 167191784

IUPACN-[2-fluoro-3-methyl-3-[2-[2-[2-(1-sulfanylethylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide
SMILESCC(S)NCCOCCOCCOC(C)(C)C(F)CNC(=O)C(C)C
InChIInChI=1S/C17H35FN2O4S/c1-13(2)16(21)20-12-15(18)17(4,5)24-11-10-23-9-8-22-7-6-19-14(3)25/h13-15,19,25H,6-12H2,1-5H3,(H,20,21)
InChIKeyJAIASEQROGXECS-UHFFFAOYSA-N
MW382.54 g/mol
LogP1.79
Rot. Bonds15

About N-[2-fluoro-3-methyl-3-[2-[2-[2-(1-sulfanylethylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide

N-[2-fluoro-3-methyl-3-[2-[2-[2-(1-sulfanylethylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide (PubChem CID 167191784) has the molecular formula C17H35FN2O4S and a molecular weight of 382.54 g/mol. Its IUPAC name is N-[2-fluoro-3-methyl-3-[2-[2-[2-(1-sulfanylethylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-methyl-3-[2-[2-[2-(1-sulfanylethylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide
PubChem CID167191784
Molecular FormulaC17H35FN2O4S
Molecular Weight382.54 g/mol
Exact Mass382.23
IUPAC NameN-[2-fluoro-3-methyl-3-[2-[2-[2-(1-sulfanylethylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide
SMILESCC(S)NCCOCCOCCOC(C)(C)C(F)CNC(=O)C(C)C
InChIInChI=1S/C17H35FN2O4S/c1-13(2)16(21)20-12-15(18)17(4,5)24-11-10-23-9-8-22-7-6-19-14(3)25/h13-15,19,25H,6-12H2,1-5H3,(H,20,21)
InChIKeyJAIASEQROGXECS-UHFFFAOYSA-N
XLogP1.79
TPSA68.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.54
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-[2-fluoro-3-methyl-3-[2-[2-[2-(1-sulfanylethylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide 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

N-[3-[2-[2-[2-(tert-butylamino)ethoxy]ethylamino]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide
CID 138727987
S-methyl N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]carbamothioate
CID 166118245
N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]propanamide
CID 155750887
ethane;N-[2-fluoro-3-methyl-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]acetamide
CID 142623147
2-ethyl-N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]pentanamide
CID 170007769
N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 138727026
2-methyl-N-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727326
2-methyl-N-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727258
N-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethyl]-2-methylpropanamide
CID 170442191
N-[2-fluoro-3-methyl-3-[2-oxo-2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethylamino]ethoxy]butyl]propanamide
CID 170005351
N-ethyl-2-methylpropanamide;N-[2-[2-[2-[2-[2-(1-fluoro-2-methylpropan-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]propan-2-amine
CID 156802606
N-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2-methylpropanamide
CID 155459913

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-methyl-3-[2-[2-[2-(1-sulfanylethylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide?
The IUPAC name of N-[2-fluoro-3-methyl-3-[2-[2-[2-(1-sulfanylethylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide (CID 167191784) is N-[2-fluoro-3-methyl-3-[2-[2-[2-(1-sulfanylethylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-fluoro-3-methyl-3-[2-[2-[2-(1-sulfanylethylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide?
The canonical SMILES for N-[2-fluoro-3-methyl-3-[2-[2-[2-(1-sulfanylethylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide is CC(S)NCCOCCOCCOC(C)(C)C(F)CNC(=O)C(C)C.
What is the InChIKey of N-[2-fluoro-3-methyl-3-[2-[2-[2-(1-sulfanylethylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide?
The InChIKey is JAIASEQROGXECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35FN2O4S/c1-13(2)16(21)20-12-15(18)17(4,5)24-11-10-23-9-8-22-7-6-19-14(3)25/h13-15,19,25H,6-12H2,1-5H3,(H,20,21).
What are the key properties of N-[2-fluoro-3-methyl-3-[2-[2-[2-(1-sulfanylethylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide?
N-[2-fluoro-3-methyl-3-[2-[2-[2-(1-sulfanylethylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide has a molecular weight of 382.54 g/mol, XLogP of 1.79, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-methyl-3-[2-[2-[2-(1-sulfanylethylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide is sourced from PubChem (CID 167191784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).